4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide

C13H12BrClN2O2S — CID 103477272

IUPAC4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(Cl)c2Br)ccc1N
InChIInChI=1S/C13H12BrClN2O2S/c1-8-7-9(5-6-11(8)16)20(18,19)17-12-4-2-3-10(15)13(12)14/h2-7,17H,16H2,1H3
InChIKeySUAUANVGPMHMJS-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.79
Rot. Bonds3

About 4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide

4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide (PubChem CID 103477272) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
PubChem CID103477272
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC Name4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(Cl)c2Br)ccc1N
InChIInChI=1S/C13H12BrClN2O2S/c1-8-7-9(5-6-11(8)16)20(18,19)17-12-4-2-3-10(15)13(12)14/h2-7,17H,16H2,1H3
InChIKeySUAUANVGPMHMJS-UHFFFAOYSA-N
XLogP3.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 104725769
2-amino-4-bromo-N-(2-bromo-3-chlorophenyl)benzenesulfonamide
CID 103477338
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
CID 106073917
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
CID 115329618
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
N-(2-bromo-3-chlorophenyl)-6-chloropyridine-3-sulfonamide
CID 103478832
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
N-(2-bromo-3-chlorophenyl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 103481116

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide (CID 103477272) is 4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2Br)ccc1N.
What is the InChIKey of 4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide?
The InChIKey is SUAUANVGPMHMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c1-8-7-9(5-6-11(8)16)20(18,19)17-12-4-2-3-10(15)13(12)14/h2-7,17H,16H2,1H3.
What are the key properties of 4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide?
4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide has a molecular weight of 375.68 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 103477272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).