2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide

C13H11ClN2O3S — CID 57396218

IUPAC2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C13H11ClN2O3S/c1-9-4-6-10(7-5-9)20(18,19)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17)
InChIKeyZDXJEAOWBMHNTI-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.16
Rot. Bonds3

About 2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide

2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide (PubChem CID 57396218) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide
PubChem CID57396218
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C13H11ClN2O3S/c1-9-4-6-10(7-5-9)20(18,19)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17)
InChIKeyZDXJEAOWBMHNTI-UHFFFAOYSA-N
XLogP2.16
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide (CID 57396218) is 2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide?
The InChIKey is ZDXJEAOWBMHNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-9-4-6-10(7-5-9)20(18,19)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide?
2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide has a molecular weight of 310.76 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 57396218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).