N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide

C13H14ClN3O2S — CID 62164890

IUPACN-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C13H14ClN3O2S/c1-15-13-8-12(6-7-16-13)20(18,19)17-9-10-2-4-11(14)5-3-10/h2-8,17H,9H2,1H3,(H,15,16)
InChIKeyUQIISOJFFKMMRT-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.26
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide

N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 62164890) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
PubChem CID62164890
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C13H14ClN3O2S/c1-15-13-8-12(6-7-16-13)20(18,19)17-9-10-2-4-11(14)5-3-10/h2-8,17H,9H2,1H3,(H,15,16)
InChIKeyUQIISOJFFKMMRT-UHFFFAOYSA-N
XLogP2.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide 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

N-[(4-ethylphenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide
CID 106900184
2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-sulfonamide
CID 62840002
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide
CID 106897636
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 106304083
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide
CID 106049745
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164415
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
CID 62148405
6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 826869
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide (CID 62164890) is N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)NCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is UQIISOJFFKMMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-15-13-8-12(6-7-16-13)20(18,19)17-9-10-2-4-11(14)5-3-10/h2-8,17H,9H2,1H3,(H,15,16).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide?
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62164890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).