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CAS 1195768-20-7 N-(3-(2-(2-chloropyriMidin-4-yl)acetyl)-2-fluorophenyl)-2,6-difluorobenzenesulfonaMide molecular structure lightbox
CAS RN: 1195768-20-7

N-(3-(2-(2-chloropyriMidin-4-yl)acetyl)-2-fluorophenyl)-2,6-difluorobenzenesulfonaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-020110
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1195768-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1195768-20-7 / N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

N-(3-(2-(2-chloropyrimidin-4-yl)acetyl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide | N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide | N-[3-[2-(2-Chloro-4-pyrimidinyl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

Standard CAS: 1195768-20-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1195768-20-7
Multi CAS
No
Molecular Formula
C18H11ClF3N3O3S
Molecular Weight
441.800000
Exact Mass
441.016175
SMILES
C1=CC(=C(C(=C1)NS(=O)(=O)C2=C(C=CC=C2F)F)F)C(=O)CC3=NC(=NC=C3)Cl
InChI
InChI=1S/C18H11ClF3N3O3S/c19-18-23-8-7-10(24-18)9-15(26)11-3-1-6-14(16(11)22)25-29(27,28)17-12(20)4-2-5-13(17)21/h1-8,25H,9H2
InChIKey
JENXIOQPSJSXEN-UHFFFAOYSA-N
Synonyms
N-(3-(2-(2-chloropyrimidin-4-yl)acetyl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide N-[3-[2-(2-Chloro-4-pyrimidinyl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide N-(3-(2-(2-Chloro-4-pyrimidinyl)acetyl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide N-{3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.64
TPSA
89.02

LogP / Solubility

WLOGP
3.77
MLOGP
3.35
XLogP3
3.3
Consensus LogP
3.47
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 7 of 7 companies. For more detailed information, please visit ECHA C&L website.

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