N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide

C13H14ClN3O2S — CID 113012323

IUPACN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H14ClN3O2S/c1-20(18,19)17-12-6-7-13(16-9-12)15-8-10-2-4-11(14)5-3-10/h2-7,9,17H,8H2,1H3,(H,15,16)
InChIKeyHOLVSJNUGFNNFC-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.72
Rot. Bonds5

About N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide

N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide (PubChem CID 113012323) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
PubChem CID113012323
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H14ClN3O2S/c1-20(18,19)17-12-6-7-13(16-9-12)15-8-10-2-4-11(14)5-3-10/h2-7,9,17H,8H2,1H3,(H,15,16)
InChIKeyHOLVSJNUGFNNFC-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide 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-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113012335
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113011606
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113027143
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264
5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
CID 113012162
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide
CID 113012955
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012399
2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113012187
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide (CID 113012323) is N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide?
The InChIKey is HOLVSJNUGFNNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-20(18,19)17-12-6-7-13(16-9-12)15-8-10-2-4-11(14)5-3-10/h2-7,9,17H,8H2,1H3,(H,15,16).
What are the key properties of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide?
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113012323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).