4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide

C15H13FN4O2S — CID 24822866

IUPAC4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cn[nH]n1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN4O2S/c16-13-5-1-11(2-6-13)12-3-7-15(8-4-12)23(21,22)18-10-14-9-17-20-19-14/h1-9,18H,10H2,(H,17,19,20)
InChIKeyXRWRYCHHJFCUDZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.09
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide

4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide (PubChem CID 24822866) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide
PubChem CID24822866
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cn[nH]n1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN4O2S/c16-13-5-1-11(2-6-13)12-3-7-15(8-4-12)23(21,22)18-10-14-9-17-20-19-14/h1-9,18H,10H2,(H,17,19,20)
InChIKeyXRWRYCHHJFCUDZ-UHFFFAOYSA-N
XLogP2.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide (CID 24822866) is 4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cn[nH]n1)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is XRWRYCHHJFCUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c16-13-5-1-11(2-6-13)12-3-7-15(8-4-12)23(21,22)18-10-14-9-17-20-19-14/h1-9,18H,10H2,(H,17,19,20).
What are the key properties of 4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide?
4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 332.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(2H-triazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 24822866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).