5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide

C14H15ClN2O2S — CID 28528922

IUPAC5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(N)ccc2Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c1-9-3-4-10(2)13(7-9)17-20(18,19)14-8-11(16)5-6-12(14)15/h3-8,17H,16H2,1-2H3
InChIKeyCJYJVENGZVXDHP-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.34
Rot. Bonds3

About 5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide

5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide (PubChem CID 28528922) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
PubChem CID28528922
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(N)ccc2Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c1-9-3-4-10(2)13(7-9)17-20(18,19)14-8-11(16)5-6-12(14)15/h3-8,17H,16H2,1-2H3
InChIKeyCJYJVENGZVXDHP-UHFFFAOYSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide 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

5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
5-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584427
4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide
CID 107624522
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 53092186
5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 29276222
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510
5-amino-2-chloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803345
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide (CID 28528922) is 5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2cc(N)ccc2Cl)c1.
What is the InChIKey of 5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is CJYJVENGZVXDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-3-4-10(2)13(7-9)17-20(18,19)14-8-11(16)5-6-12(14)15/h3-8,17H,16H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide?
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 28528922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).