6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide

C13H11ClN2O3S — CID 9071047

IUPAC6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H11ClN2O3S/c1-20(18,19)11-4-2-3-10(7-11)16-13(17)9-5-6-12(14)15-8-9/h2-8H,1H3,(H,16,17)
InChIKeyQTGFASDGEVLBNB-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.39
Rot. Bonds3

About 6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide

6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 9071047) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID9071047
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H11ClN2O3S/c1-20(18,19)11-4-2-3-10(7-11)16-13(17)9-5-6-12(14)15-8-9/h2-8H,1H3,(H,16,17)
InChIKeyQTGFASDGEVLBNB-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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

5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 103803477
3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide
CID 55637881
3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
CID 60923802
5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 81317410
N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 175733082
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227
2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide
CID 114325907
3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
CID 103706508
6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide
CID 106911694
6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide
CID 47380551

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide (CID 9071047) is 6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)nc2)c1.
What is the InChIKey of 6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is QTGFASDGEVLBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-20(18,19)11-4-2-3-10(7-11)16-13(17)9-5-6-12(14)15-8-9/h2-8H,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide?
6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 310.76 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 9071047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).