N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide

C13H14ClN3O2S — CID 107630560

IUPACN-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(C)ccc2Cl)cn1
InChIInChI=1S/C13H14ClN3O2S/c1-9-3-5-11(14)12(7-9)17-20(18,19)10-4-6-13(15-2)16-8-10/h3-8,17H,1-2H3,(H,15,16)
InChIKeyWOZVQHGABZSNRG-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.89
Rot. Bonds4

About N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide

N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 107630560) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID107630560
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(C)ccc2Cl)cn1
InChIInChI=1S/C13H14ClN3O2S/c1-9-3-5-11(14)12(7-9)17-20(18,19)10-4-6-13(15-2)16-8-10/h3-8,17H,1-2H3,(H,15,16)
InChIKeyWOZVQHGABZSNRG-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

6-amino-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107624515
N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 107626553
N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107578094
6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
CID 4729843
N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107793245
N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62159373
N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62142847
N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 107531127
N-(2,6-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62143160
N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62146982
N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164228
6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 79240478

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide (CID 107630560) is N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)Nc2cc(C)ccc2Cl)cn1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is WOZVQHGABZSNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-3-5-11(14)12(7-9)17-20(18,19)10-4-6-13(15-2)16-8-10/h3-8,17H,1-2H3,(H,15,16).
What are the key properties of N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide?
N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-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-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 107630560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).