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CAS 51896-27-6 3-Chloro-4-methylbenzenesulfonamide molecular structure lightbox
CAS RN: 51896-27-6

3-Chloro-4-methylbenzenesulfonamide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250814 100g In stock Inquiry
Batchno.20251211 1g In stock Inquiry
Batchno.20250422 25g In stock Inquiry
Batchno.20260112 5g In stock Inquiry
  • Product code: SSC-158904
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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 51896-27-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

51896-27-6 / 3-chloro-4-methylbenzenesulfonamide

Standard CAS: 51896-27-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51896-27-6
Multi CAS
Yes
Molecular Formula
C7H8CLNO2S
Molecular Weight
205.660000
Exact Mass
204.996427
InChI
InChI=1S/C7H8ClNO2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKey
YAUUWNCFVUUNCM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.56
TPSA
60.16

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
2.2
Consensus LogP
1.55
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

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

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