4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide

C13H14ClN3O2S — CID 82898871

IUPAC4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide
SMILESCc1cccc(Cl)c1Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H14ClN3O2S/c1-8-3-2-4-10(14)13(8)17-12-7-9(20(16,18)19)5-6-11(12)15/h2-7,17H,15H2,1H3,(H2,16,18,19)
InChIKeyRBOFVSNONGDVTR-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.62
Rot. Bonds3

About 4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide

4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide (PubChem CID 82898871) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide
PubChem CID82898871
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide
SMILESCc1cccc(Cl)c1Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H14ClN3O2S/c1-8-3-2-4-10(14)13(8)17-12-7-9(20(16,18)19)5-6-11(12)15/h2-7,17H,15H2,1H3,(H2,16,18,19)
InChIKeyRBOFVSNONGDVTR-UHFFFAOYSA-N
XLogP2.62
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-(2-chloro-6-methylanilino)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

4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine
CID 115469101
4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83073033
4-amino-3-(3,4-dichloroanilino)benzenesulfonamide
CID 82907760
3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine
CID 66253174
4-amino-3-(5-bromo-4-fluoro-2-methylanilino)benzenesulfonamide
CID 107590941
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
4-amino-3-(4-propan-2-ylanilino)benzenesulfonamide
CID 82900050
4-amino-3-(2-fluoroanilino)benzenesulfonamide
CID 82907833
4-amino-3-(2-iodoanilino)benzenesulfonamide
CID 82907987
1-N-(2-chloro-6-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 66253362
4-amino-3-(4-iodoanilino)benzenesulfonamide
CID 82907832
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide (CID 82898871) is 4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide is Cc1cccc(Cl)c1Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide?
The InChIKey is RBOFVSNONGDVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-8-3-2-4-10(14)13(8)17-12-7-9(20(16,18)19)5-6-11(12)15/h2-7,17H,15H2,1H3,(H2,16,18,19).
What are the key properties of 4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide?
4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-chloro-6-methylanilino)benzenesulfonamide is sourced from PubChem (CID 82898871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).