N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide

C12H9ClN2O3S — CID 57401428

IUPACN-(benzenesulfonyl)-2-chloropyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cccnc1Cl
InChIInChI=1S/C12H9ClN2O3S/c13-11-10(7-4-8-14-11)12(16)15-19(17,18)9-5-2-1-3-6-9/h1-8H,(H,15,16)
InChIKeyAXKGKUZONMZUHS-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.85
Rot. Bonds3

About N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide

N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide (PubChem CID 57401428) has the molecular formula C12H9ClN2O3S and a molecular weight of 296.74 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-chloropyridine-3-carboxamide
PubChem CID57401428
Molecular FormulaC12H9ClN2O3S
Molecular Weight296.74 g/mol
Exact Mass296.00
IUPAC NameN-(benzenesulfonyl)-2-chloropyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cccnc1Cl
InChIInChI=1S/C12H9ClN2O3S/c13-11-10(7-4-8-14-11)12(16)15-19(17,18)9-5-2-1-3-6-9/h1-8H,(H,15,16)
InChIKeyAXKGKUZONMZUHS-UHFFFAOYSA-N
XLogP1.85
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
CID 134393571
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
N-acetyl-2-chloropyridine-3-carboxamide
CID 61215997
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670
2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide
CID 56689453
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloropyridine-3-carbonyl chloride;ethane
CID 91362446
3-(2-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 18331345
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide (CID 57401428) is N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cccnc1Cl.
What is the InChIKey of N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide?
The InChIKey is AXKGKUZONMZUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3S/c13-11-10(7-4-8-14-11)12(16)15-19(17,18)9-5-2-1-3-6-9/h1-8H,(H,15,16).
What are the key properties of N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide?
N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide has a molecular weight of 296.74 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 57401428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).