N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide

C12H9ClN2O3S — CID 12015271

IUPACN-(4-chlorophenyl)sulfonylpyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C12H9ClN2O3S/c13-9-4-6-10(7-5-9)19(17,18)15-12(16)11-3-1-2-8-14-11/h1-8H,(H,15,16)
InChIKeyHTGJPRXIOZGYBK-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.85
Rot. Bonds3

About N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide

N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide (PubChem CID 12015271) has the molecular formula C12H9ClN2O3S and a molecular weight of 296.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonylpyridine-2-carboxamide
PubChem CID12015271
Molecular FormulaC12H9ClN2O3S
Molecular Weight296.74 g/mol
Exact Mass296.00
IUPAC NameN-(4-chlorophenyl)sulfonylpyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C12H9ClN2O3S/c13-9-4-6-10(7-5-9)19(17,18)15-12(16)11-3-1-2-8-14-11/h1-8H,(H,15,16)
InChIKeyHTGJPRXIOZGYBK-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide (CID 12015271) is N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide?
The InChIKey is HTGJPRXIOZGYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3S/c13-9-4-6-10(7-5-9)19(17,18)15-12(16)11-3-1-2-8-14-11/h1-8H,(H,15,16).
What are the key properties of N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide?
N-(4-chlorophenyl)sulfonylpyridine-2-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-(4-chlorophenyl)sulfonylpyridine-2-carboxamide is sourced from PubChem (CID 12015271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).