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CAS 6380-08-1 N-(4-AMINOPHENYL)-4-METHYLBENZENESULFONAMIDE molecular structure lightbox
CAS RN: 6380-08-1

N-(4-AMINOPHENYL)-4-METHYLBENZENESULFONAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250914 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS6380-08-1
  • Purity/Analytical Methods: >99.0%
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6380-08-1 / N-(4-aminophenyl)-4-methylbenzenesulfonamide

Standard CAS: 6380-08-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6380-08-1
Multi CAS
No
Molecular Formula
C13H14N2O2S
Molecular Weight
262.330000
Exact Mass
262.077599
InChI
InChI=1S/C13H14N2O2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,14H2,1H3
InChIKey
XKDFMOOUKPSLEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.84
TPSA
72.19

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
2.1
Consensus LogP
2.19
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

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

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