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CAS 35203-88-4 Benzenesulfonamide, 3-acetyl- (9CI) molecular structure lightbox
CAS RN: 35203-88-4

Benzenesulfonamide, 3-acetyl- (9CI)

  • Product code: SSC-142074
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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 35203-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

35203-88-4 / 3-acetylbenzenesulfonamide

Standard CAS: 35203-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35203-88-4
Multi CAS
No
Molecular Formula
C8H9NO3S
Molecular Weight
199.230000
Exact Mass
199.030314
InChI
InChI=1S/C8H9NO3S/c1-6(10)7-3-2-4-8(5-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKey
ZLZNHLVBJWGUCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.82
TPSA
77.23

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
0.3
Consensus LogP
0.44
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

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

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