4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide

C13H14ClN3O2S — CID 114954417

IUPAC4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccncc1CNS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-9-4-5-16-7-10(9)8-17-20(18,19)13-3-2-11(15)6-12(13)14/h2-7,17H,8,15H2,1H3
InChIKeyHCLKOFYXMIYWSF-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.10
Rot. Bonds4

About 4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide

4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 114954417) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID114954417
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccncc1CNS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-9-4-5-16-7-10(9)8-17-20(18,19)13-3-2-11(15)6-12(13)14/h2-7,17H,8,15H2,1H3
InChIKeyHCLKOFYXMIYWSF-UHFFFAOYSA-N
XLogP2.10
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]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-amino-2,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954441
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954391
3-amino-2-bromo-5-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954404
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106033797
5-amino-2-chloro-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698332
2-amino-5-bromo-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954439
4-amino-2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698284
2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956174
4-amino-2,6-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698306
3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954460
5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114955310
4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957462

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide (CID 114954417) is 4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide is Cc1ccncc1CNS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is HCLKOFYXMIYWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-4-5-16-7-10(9)8-17-20(18,19)13-3-2-11(15)6-12(13)14/h2-7,17H,8,15H2,1H3.
What are the key properties of 4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide?
4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114954417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).