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

C13H14ClN3O2S — CID 107630568

IUPACN-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)Nc1cc(C)ccc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-9-5-6-10(14)11(8-9)17-20(18,19)12-4-3-7-16-13(12)15-2/h3-8,17H,1-2H3,(H,15,16)
InChIKeyLUAOGQOBBSGLQH-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.89
Rot. Bonds4

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

N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 107630568) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID107630568
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)Nc1cc(C)ccc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-9-5-6-10(14)11(8-9)17-20(18,19)12-4-3-7-16-13(12)15-2/h3-8,17H,1-2H3,(H,15,16)
InChIKeyLUAOGQOBBSGLQH-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-fluoro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143202
2-(methylamino)-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 62144229
N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81274698
N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62142676
N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 103587233
N-(2,4-difluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143667
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62164065
N-(2-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144368
N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62164737
N-(5-chloro-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143012
N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304236
5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107625055

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide (CID 107630568) is N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)Nc1cc(C)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is LUAOGQOBBSGLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-5-6-10(14)11(8-9)17-20(18,19)12-4-3-7-16-13(12)15-2/h3-8,17H,1-2H3,(H,15,16).
What are the key properties of N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
N-(2-chloro-5-methylphenyl)-2-(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)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 107630568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).