4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide

C8H7FN4O2S — CID 2851327

IUPAC4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1ccc(F)cc1
InChIInChI=1S/C8H7FN4O2S/c9-7-1-3-8(4-2-7)16(14,15)12-13-5-10-11-6-13/h1-6,12H
InChIKeyXNQKNLQRUWZTKS-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.35
Rot. Bonds3

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

4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 2851327) has the molecular formula C8H7FN4O2S and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID2851327
Molecular FormulaC8H7FN4O2S
Molecular Weight242.24 g/mol
Exact Mass242.03
IUPAC Name4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1ccc(F)cc1
InChIInChI=1S/C8H7FN4O2S/c9-7-1-3-8(4-2-7)16(14,15)12-13-5-10-11-6-13/h1-6,12H
InChIKeyXNQKNLQRUWZTKS-UHFFFAOYSA-N
XLogP0.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 561405
2-Chloro-N-[1,2,4]triazol-4-yl-benzenesulfonamide
CID 647041
N-(5-Amino-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 13772883
N-[1,2,4]Triazol-4-yl-benzenesulfonamide
CID 555204
1-(phenylsulfonyl)-1H-1,2,4-triazol-3-amine
CID 697181
N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 71917724
4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 71969278
1H-1,2,4-triazol-3-yl(phenylsulfonyl)amine
CID 4243591
1H-1,2,4-Triazole, 1-(phenylsulfonyl)-
CID 4418200
1-Phenylsulfanyl-1,2,4-triazole
CID 44178272
4-Fluoro-N-1H-1,2,4-triazol-5-ylbenzenesulfonamide
CID 60384037
1-(2,3,4,5,6-Pentafluorophenyl)sulfonyl-1,2,4-triazole
CID 21059023

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 2851327) is 4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide is O=S(=O)(Nn1cnnc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is XNQKNLQRUWZTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O2S/c9-7-1-3-8(4-2-7)16(14,15)12-13-5-10-11-6-13/h1-6,12H.
What are the key properties of 4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 242.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 2851327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).