3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide

C8H6F2N4O2S — CID 19683362

IUPAC3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1ccc(F)c(F)c1
InChIInChI=1S/C8H6F2N4O2S/c9-7-2-1-6(3-8(7)10)17(15,16)13-14-4-11-12-5-14/h1-5,13H
InChIKeyVGXJIBJPVAGNOD-UHFFFAOYSA-N
MW260.23 g/mol
LogP0.49
Rot. Bonds3

About 3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide

3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 19683362) has the molecular formula C8H6F2N4O2S and a molecular weight of 260.23 g/mol. Its IUPAC name is 3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID19683362
Molecular FormulaC8H6F2N4O2S
Molecular Weight260.23 g/mol
Exact Mass260.02
IUPAC Name3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1ccc(F)c(F)c1
InChIInChI=1S/C8H6F2N4O2S/c9-7-2-1-6(3-8(7)10)17(15,16)13-14-4-11-12-5-14/h1-5,13H
InChIKeyVGXJIBJPVAGNOD-UHFFFAOYSA-N
XLogP0.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25046115
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide
CID 25039958
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
N-(5-chloro-2-pyridinyl)-3,4-difluorobenzenesulfonamide
CID 19683191
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide
CID 75526090
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 19683362) is 3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide is O=S(=O)(Nn1cnnc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is VGXJIBJPVAGNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4O2S/c9-7-2-1-6(3-8(7)10)17(15,16)13-14-4-11-12-5-14/h1-5,13H.
What are the key properties of 3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 260.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 19683362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).