N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide

C13H14ClN3O2S — CID 103304236

IUPACN-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-9-5-6-11(10(14)8-9)17-20(18,19)13-12(15-2)4-3-7-16-13/h3-8,15,17H,1-2H3
InChIKeyLYARAOQOEIFBCU-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.89
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide

N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 103304236) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
PubChem CID103304236
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-9-5-6-11(10(14)8-9)17-20(18,19)13-12(15-2)4-3-7-16-13/h3-8,15,17H,1-2H3
InChIKeyLYARAOQOEIFBCU-UHFFFAOYSA-N
XLogP2.89
TPSA71.09 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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304303
N-(3,5-dimethylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304016
3-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-sulfonamide
CID 103303080
N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304876
3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450
N-(2,4-difluorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304009
N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 107616509
N-(4,6-dimethylpyrimidin-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303013
N-(5-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304023
N-(5-chloro-2-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303356
N-(3-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305047
N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62142847

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide (CID 103304236) is N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)Nc1ccc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is LYARAOQOEIFBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-5-6-11(10(14)8-9)17-20(18,19)13-12(15-2)4-3-7-16-13/h3-8,15,17H,1-2H3.
What are the key properties of N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide?
N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103304236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).