6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide

C13H12ClFN2O2S — CID 31391554

IUPAC6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H12ClFN2O2S/c1-17(9-10-4-2-3-5-12(10)15)20(18,19)11-6-7-13(14)16-8-11/h2-8H,9H2,1H3
InChIKeyMPRCAPRTVLKLDO-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.69
Rot. Bonds4

About 6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide

6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 31391554) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID31391554
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H12ClFN2O2S/c1-17(9-10-4-2-3-5-12(10)15)20(18,19)11-6-7-13(14)16-8-11/h2-8H,9H2,1H3
InChIKeyMPRCAPRTVLKLDO-UHFFFAOYSA-N
XLogP2.69
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-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

3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47267533
6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 39794843
4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 43578997
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949
3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937738
6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391306
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
4-bromo-2,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 30329132
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 7510031

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide (CID 31391554) is 6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide is CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is MPRCAPRTVLKLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-17(9-10-4-2-3-5-12(10)15)20(18,19)11-6-7-13(14)16-8-11/h2-8H,9H2,1H3.
What are the key properties of 6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 314.77 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 31391554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).