2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide

C15H13FN4O2S — CID 39000599

IUPAC2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1ccccc1F
InChIInChI=1S/C15H13FN4O2S/c16-14-3-1-2-4-15(14)23(21,22)19-13-7-5-12(6-8-13)9-20-11-17-10-18-20/h1-8,10-11,19H,9H2
InChIKeyFURHQCOCOSGOEV-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.27
Rot. Bonds5

About 2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide

2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 39000599) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID39000599
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1ccccc1F
InChIInChI=1S/C15H13FN4O2S/c16-14-3-1-2-4-15(14)23(21,22)19-13-7-5-12(6-8-13)9-20-11-17-10-18-20/h1-8,10-11,19H,9H2
InChIKeyFURHQCOCOSGOEV-UHFFFAOYSA-N
XLogP2.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 39000599) is 2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is FURHQCOCOSGOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c16-14-3-1-2-4-15(14)23(21,22)19-13-7-5-12(6-8-13)9-20-11-17-10-18-20/h1-8,10-11,19H,9H2.
What are the key properties of 2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide?
2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 332.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 39000599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).