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CAS 214209-96-8 5-BROMO-2-FLUOROBENZENESULFONAMIDE molecular structure lightbox
CAS RN: 214209-96-8

5-BROMO-2-FLUOROBENZENESULFONAMIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-102688
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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: ＞97%
  • 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 214209-96-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

214209-96-8 / 5-bromo-2-fluorobenzenesulfonamide

Standard CAS: 214209-96-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214209-96-8
Multi CAS
No
Molecular Formula
C6H5BrFNO2S
Molecular Weight
254.080000
Exact Mass
252.920840
SMILES
C1=CC(=C(C=C1Br)S(=O)(=O)N)F
InChI
InChI=1S/C6H5BrFNO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey
SSONMJWGZLKCAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.47
TPSA
60.16

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1.3
Consensus LogP
1.21
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

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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