3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide

C12H12ClN3O2S — CID 61108865

IUPAC3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)Nc1cccnc1Cl
InChIInChI=1S/C12H12ClN3O2S/c1-8-9(14)4-2-6-11(8)19(17,18)16-10-5-3-7-15-12(10)13/h2-7,16H,14H2,1H3
InChIKeyZKANXUMWUWGEJX-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.43
Rot. Bonds3

About 3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide

3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 61108865) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID61108865
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)Nc1cccnc1Cl
InChIInChI=1S/C12H12ClN3O2S/c1-8-9(14)4-2-6-11(8)19(17,18)16-10-5-3-7-15-12(10)13/h2-7,16H,14H2,1H3
InChIKeyZKANXUMWUWGEJX-UHFFFAOYSA-N
XLogP2.43
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-(2-chloro-3-pyridinyl)-2-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-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 61108863
5-amino-N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645770
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61104840
3-amino-N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107786884
2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 26969811
3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 30058477
3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide
CID 81465769
3-amino-2,5-dimethyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79889757
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
2-amino-N-(3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 62158167
N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
CID 113221263
2-chloro-N-(2-hydroxyphenyl)pyridine-3-sulfonamide
CID 113220656

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide (CID 61108865) is 3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)Nc1cccnc1Cl.
What is the InChIKey of 3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is ZKANXUMWUWGEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-8-9(14)4-2-6-11(8)19(17,18)16-10-5-3-7-15-12(10)13/h2-7,16H,14H2,1H3.
What are the key properties of 3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide?
3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 61108865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).