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CAS 100142-87-8 4”-AMINO-1,1”-BIPHENYL-4-SULFONAMIDE molecular structure lightbox
CAS RN: 100142-87-8

4”-AMINO-1,1”-BIPHENYL-4-SULFONAMIDE

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3 package records2 with current stock1 grade group
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Batchno.20260101 1g In stock Inquiry
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  • Product code: starshine_CAS100142-87-8
  • Purity/Analytical Methods: >99.0%
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100142-87-8 / 4-(4-aminophenyl)benzenesulfonamide

4'-amino-1,1'-biphenyl-4-sulfonamide | 4-(4-aminophenyl)benzenesulfonamide | 4'-Amino-[1,1'-biphenyl]-4-sulfonamide

Standard CAS: 100142-87-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100142-87-8
Multi CAS
Yes
Molecular Formula
C12H12N2O2S
Molecular Weight
248.300000
Exact Mass
248.061949
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)N)N
InChI
InChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
InChIKey
OFWFFDCOBHXZME-UHFFFAOYSA-N
Synonyms
4'-amino-1,1'-biphenyl-4-sulfonamide 4-(4-aminophenyl)benzenesulfonamide 4'-Amino-[1,1'-biphenyl]-4-sulfonamide 4'-Aminobiphenyl-4-Sulfonamide 4-(4-aminophenyl)benzene-1-sulfonamide

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.66
TPSA
86.18

LogP / Solubility

WLOGP
1.58
MLOGP
1.4
XLogP3
1
Consensus LogP
1.33
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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