2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide

C13H12ClN3O3S — CID 60721981

IUPAC2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H12ClN3O3S/c1-15-13(18)9-5-2-3-6-10(9)17-21(19,20)11-7-4-8-16-12(11)14/h2-8,17H,1H3,(H,15,18)
InChIKeyANQWQAGPVQWJSR-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.90
Rot. Bonds4

About 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide

2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide (PubChem CID 60721981) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide
PubChem CID60721981
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H12ClN3O3S/c1-15-13(18)9-5-2-3-6-10(9)17-21(19,20)11-7-4-8-16-12(11)14/h2-8,17H,1H3,(H,15,18)
InChIKeyANQWQAGPVQWJSR-UHFFFAOYSA-N
XLogP1.90
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetylphenyl)-2-chloropyridine-3-sulfonamide
CID 24621346
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 24650659
2-chloro-N-(2-hydroxyphenyl)pyridine-3-sulfonamide
CID 113220656
2-[(2-aminophenyl)sulfonylamino]-N-methylbenzamide
CID 43576281
2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide
CID 60749011
2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62816422
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-chloro-N-pyridin-2-ylpyridine-3-sulfonamide
CID 43415000
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 24502280

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide (CID 60721981) is 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide is CNC(=O)c1ccccc1NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is ANQWQAGPVQWJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c1-15-13(18)9-5-2-3-6-10(9)17-21(19,20)11-7-4-8-16-12(11)14/h2-8,17H,1H3,(H,15,18).
What are the key properties of 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide?
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 325.78 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 60721981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).