5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide

C12H8F2N2O3S — CID 90011909

IUPAC5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C12H8F2N2O3S/c13-7-3-8(14)5-10(4-7)20(18,19)9-1-2-11(12(15)17)16-6-9/h1-6H,(H2,15,17)
InChIKeySXNKGHGHGCWBAQ-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.29
Rot. Bonds3

About 5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide

5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide (PubChem CID 90011909) has the molecular formula C12H8F2N2O3S and a molecular weight of 298.27 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide
PubChem CID90011909
Molecular FormulaC12H8F2N2O3S
Molecular Weight298.27 g/mol
Exact Mass298.02
IUPAC Name5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C12H8F2N2O3S/c13-7-3-8(14)5-10(4-7)20(18,19)9-1-2-11(12(15)17)16-6-9/h1-6H,(H2,15,17)
InChIKeySXNKGHGHGCWBAQ-UHFFFAOYSA-N
XLogP1.29
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide?
The IUPAC name of 5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide (CID 90011909) is 5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide?
The canonical SMILES for 5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1.
What is the InChIKey of 5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide?
The InChIKey is SXNKGHGHGCWBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3S/c13-7-3-8(14)5-10(4-7)20(18,19)9-1-2-11(12(15)17)16-6-9/h1-6H,(H2,15,17).
What are the key properties of 5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide?
5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)sulfonylpyridine-2-carboxamide is sourced from PubChem (CID 90011909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).