6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide

C14H10FN3O3S — CID 99630096

IUPAC6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide
SMILESCc1cc(F)cc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)c1
InChIInChI=1S/C14H10FN3O3S/c1-9-4-11(15)6-13(5-9)22(20,21)18-14(19)10-2-3-12(7-16)17-8-10/h2-6,8H,1H3,(H,18,19)
InChIKeyVNCKTPDSGRZCJE-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.52
Rot. Bonds3

About 6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide

6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide (PubChem CID 99630096) has the molecular formula C14H10FN3O3S and a molecular weight of 319.32 g/mol. Its IUPAC name is 6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide
PubChem CID99630096
Molecular FormulaC14H10FN3O3S
Molecular Weight319.32 g/mol
Exact Mass319.04
IUPAC Name6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide
SMILESCc1cc(F)cc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)c1
InChIInChI=1S/C14H10FN3O3S/c1-9-4-11(15)6-13(5-9)22(20,21)18-14(19)10-2-3-12(7-16)17-8-10/h2-6,8H,1H3,(H,18,19)
InChIKeyVNCKTPDSGRZCJE-UHFFFAOYSA-N
XLogP1.52
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide (CID 99630096) is 6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide is Cc1cc(F)cc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)c1.
What is the InChIKey of 6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide?
The InChIKey is VNCKTPDSGRZCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3S/c1-9-4-11(15)6-13(5-9)22(20,21)18-14(19)10-2-3-12(7-16)17-8-10/h2-6,8H,1H3,(H,18,19).
What are the key properties of 6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide?
6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(3-fluoro-5-methylphenyl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 99630096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).