N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide

C13H9F2N5O2S — CID 141437619

IUPACN-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(-n2cncn2)cn1
InChIInChI=1S/C13H9F2N5O2S/c14-9-3-10(15)5-11(4-9)19-23(21,22)13-2-1-12(6-17-13)20-8-16-7-18-20/h1-8,19H
InChIKeyYAOJXLJZOLHFFR-UHFFFAOYSA-N
MW337.31 g/mol
LogP1.74
Rot. Bonds4

About N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide

N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide (PubChem CID 141437619) has the molecular formula C13H9F2N5O2S and a molecular weight of 337.31 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide
PubChem CID141437619
Molecular FormulaC13H9F2N5O2S
Molecular Weight337.31 g/mol
Exact Mass337.04
IUPAC NameN-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(-n2cncn2)cn1
InChIInChI=1S/C13H9F2N5O2S/c14-9-3-10(15)5-11(4-9)19-23(21,22)13-2-1-12(6-17-13)20-8-16-7-18-20/h1-8,19H
InChIKeyYAOJXLJZOLHFFR-UHFFFAOYSA-N
XLogP1.74
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide?
The IUPAC name of N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide (CID 141437619) is N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide?
The canonical SMILES for N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(-n2cncn2)cn1.
What is the InChIKey of N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide?
The InChIKey is YAOJXLJZOLHFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O2S/c14-9-3-10(15)5-11(4-9)19-23(21,22)13-2-1-12(6-17-13)20-8-16-7-18-20/h1-8,19H.
What are the key properties of N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide?
N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide has a molecular weight of 337.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-5-(1,2,4-triazol-1-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 141437619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).