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CAS 17560-53-1 N-[4-(AMINOSULFONYL)-5-CHLORO-2-METHYLPHENYL]ACETAMIDE molecular structure lightbox
CAS RN: 17560-53-1

N-[4-(AMINOSULFONYL)-5-CHLORO-2-METHYLPHENYL]ACETAMIDE

  • Product code: SSC-077036
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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: 1g
  • 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 17560-53-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

17560-53-1 / N-(5-chloro-2-methyl-4-sulfamoylphenyl)acetamide

Standard CAS: 17560-53-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17560-53-1
Multi CAS
No
Molecular Formula
C9H11ClN2O3S
Molecular Weight
262.710000
Exact Mass
262.017891
SMILES
CC1=CC(=C(C=C1NC(=O)C)Cl)S(=O)(=O)N
InChI
InChI=1S/C9H11ClN2O3S/c1-5-3-9(16(11,14)15)7(10)4-8(5)12-6(2)13/h3-4H,1-2H3,(H,12,13)(H2,11,14,15)
InChIKey
NFZLMFBWGLETNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.87
TPSA
89.26

LogP / Solubility

WLOGP
1.25
MLOGP
1.11
XLogP3
0.7
Consensus LogP
1.02
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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