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CAS 6333-79-5 4-Chloro-N-methylbenzenesulphonamide molecular structure lightbox
CAS RN: 6333-79-5

4-Chloro-N-methylbenzenesulphonamide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250804 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6333-79-5
  • Purity/Analytical Methods: >99.0%
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6333-79-5 / 4-chloro-N-methylbenzenesulfonamide

Standard CAS: 6333-79-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6333-79-5
Multi CAS
Yes
Molecular Formula
C7H8CLNO2S
Molecular Weight
205.660000
Exact Mass
204.996427
InChI
InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey
PJHYEBDREIJPKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.7
TPSA
46.17

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
1.9
Consensus LogP
1.42
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.09

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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