[email protected]
CAS 100-93-6 4′-anilinotoluene-4-sulphonanilide molecular structure lightbox
CAS RN: 100-93-6

4′-anilinotoluene-4-sulphonanilide

Product Availability

Available package options are listed below.

3 package records3 with current stock
Batch No.PackageAvailabilityInquiry
Batchno.20250130 100g In stock Inquiry
Batchno.20250223 2.5kg In stock Inquiry
Batchno.20251206 500g In stock Inquiry
  • Product code: starshine_CAS100-93-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

100-93-6 / N-(4-anilinophenyl)-4-methylbenzenesulfonamide

4'-Anilinotoluene-4-sulphonanilide | Benzenesulfonamide, 4-methyl-N-[4-(phenylamino)phenyl]- | Benzenesulfonamide, 4-methyl-N-(4-(phenylamino)phenyl)-

Standard CAS: 100-93-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100-93-6
Multi CAS
Yes
Molecular Formula
C19H18N2O2S
Molecular Weight
338.400000
Exact Mass
338.108899
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O2S/c1-15-7-13-19(14-8-15)24(22,23)21-18-11-9-17(10-12-18)20-16-5-3-2-4-6-16/h2-14,20-21H,1H3
InChIKey
KEZPMZSDLBJCHH-UHFFFAOYSA-N
Synonyms
4'-Anilinotoluene-4-sulphonanilide Benzenesulfonamide, 4-methyl-N-[4-(phenylamino)phenyl]- Benzenesulfonamide, 4-methyl-N-(4-(phenylamino)phenyl)- DTXSID7059222 RefChem:563782

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
98.15
TPSA
58.2

LogP / Solubility

WLOGP
4.54
MLOGP
4.01
XLogP3
4.3
Consensus LogP
4.28
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (67.2%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us