2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide

C13H13Cl2N3O2S — CID 80640845

IUPAC2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2cc(Cl)ccc2Cl)cc1N
InChIInChI=1S/C13H13Cl2N3O2S/c1-17-21(19,20)13-5-3-9(7-11(13)16)18-12-6-8(14)2-4-10(12)15/h2-7,17-18H,16H2,1H3
InChIKeyYAHCWBFHLSDAKM-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.23
Rot. Bonds4

About 2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide

2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide (PubChem CID 80640845) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide
PubChem CID80640845
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC Name2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2cc(Cl)ccc2Cl)cc1N
InChIInChI=1S/C13H13Cl2N3O2S/c1-17-21(19,20)13-5-3-9(7-11(13)16)18-12-6-8(14)2-4-10(12)15/h2-7,17-18H,16H2,1H3
InChIKeyYAHCWBFHLSDAKM-UHFFFAOYSA-N
XLogP3.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-(2,5-dichloroanilino)-N-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

2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide
CID 80642093
2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 80646384
2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide
CID 43454338
4-amino-3-(4-chloro-3-fluoroanilino)-N-methylbenzenesulfonamide
CID 82898391
2-amino-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylbenzenesulfonamide
CID 107462202
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 28938069
2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 80646231
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide
CID 107618570
2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 28549919
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343077

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide (CID 80640845) is 2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2cc(Cl)ccc2Cl)cc1N.
What is the InChIKey of 2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide?
The InChIKey is YAHCWBFHLSDAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-17-21(19,20)13-5-3-9(7-11(13)16)18-12-6-8(14)2-4-10(12)15/h2-7,17-18H,16H2,1H3.
What are the key properties of 2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide?
2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 80640845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).