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CAS 100367-90-6 Benzenesulfonamide, 3-amino-4-bromo- molecular structure lightbox
CAS RN: 100367-90-6

Benzenesulfonamide, 3-amino-4-bromo-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-000885
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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 100367-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

100367-90-6 / 3-amino-4-bromobenzenesulfonamide

3-AMINO-4-BROMOBENZENE-1-SULFONAMIDE | 3-amino-4-bromobenzenesulfonamide | MFCD09949821

Standard CAS: 100367-90-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100367-90-6
Multi CAS
No
Molecular Formula
C6H7BrN2O2S
Molecular Weight
251.100000
Exact Mass
249.941160
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)N)Br
InChI
InChI=1S/C6H7BrN2O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKey
AUFMHQSAEAOXHZ-UHFFFAOYSA-N
Synonyms
3-AMINO-4-BROMOBENZENE-1-SULFONAMIDE 3-amino-4-bromobenzenesulfonamide MFCD09949821 NSC172754 SCHEMBL4603717

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.93
TPSA
86.18

LogP / Solubility

WLOGP
0.68
MLOGP
0.6
XLogP3
0.5
Consensus LogP
0.59
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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