4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide

C15H13FN4O3S — CID 134136523

IUPAC4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cn(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C15H13FN4O3S/c16-11-1-3-13(4-2-11)20-9-12(18-19-20)10-23-14-5-7-15(8-6-14)24(17,21)22/h1-9H,10H2,(H2,17,21,22)
InChIKeyFZCVVJKDVQVEIH-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.63
Rot. Bonds5

About 4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide

4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide (PubChem CID 134136523) has the molecular formula C15H13FN4O3S and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide
PubChem CID134136523
Molecular FormulaC15H13FN4O3S
Molecular Weight348.36 g/mol
Exact Mass348.07
IUPAC Name4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cn(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C15H13FN4O3S/c16-11-1-3-13(4-2-11)20-9-12(18-19-20)10-23-14-5-7-15(8-6-14)24(17,21)22/h1-9H,10H2,(H2,17,21,22)
InChIKeyFZCVVJKDVQVEIH-UHFFFAOYSA-N
XLogP1.63
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide?
The IUPAC name of 4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide (CID 134136523) is 4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide.
What is the SMILES notation for 4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide?
The canonical SMILES for 4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCc2cn(-c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide?
The InChIKey is FZCVVJKDVQVEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3S/c16-11-1-3-13(4-2-11)20-9-12(18-19-20)10-23-14-5-7-15(8-6-14)24(17,21)22/h1-9H,10H2,(H2,17,21,22).
What are the key properties of 4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide?
4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide has a molecular weight of 348.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide is sourced from PubChem (CID 134136523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).