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

C15H14N4O4S — CID 134133977

IUPAC4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cn(-c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C15H14N4O4S/c16-24(21,22)15-7-5-14(6-8-15)23-10-11-9-19(18-17-11)12-1-3-13(20)4-2-12/h1-9,20H,10H2,(H2,16,21,22)
InChIKeyJYGYLWAUBIYKPU-UHFFFAOYSA-N
MW346.37 g/mol
LogP1.20
Rot. Bonds5

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

4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide (PubChem CID 134133977) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide
PubChem CID134133977
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cn(-c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C15H14N4O4S/c16-24(21,22)15-7-5-14(6-8-15)23-10-11-9-19(18-17-11)12-1-3-13(20)4-2-12/h1-9,20H,10H2,(H2,16,21,22)
InChIKeyJYGYLWAUBIYKPU-UHFFFAOYSA-N
XLogP1.20
TPSA120.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide?
The IUPAC name of 4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide (CID 134133977) is 4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide.
What is the SMILES notation for 4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide?
The canonical SMILES for 4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCc2cn(-c3ccc(O)cc3)nn2)cc1.
What is the InChIKey of 4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide?
The InChIKey is JYGYLWAUBIYKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c16-24(21,22)15-7-5-14(6-8-15)23-10-11-9-19(18-17-11)12-1-3-13(20)4-2-12/h1-9,20H,10H2,(H2,16,21,22).
What are the key properties of 4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide?
4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide has a molecular weight of 346.37 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-hydroxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide is sourced from PubChem (CID 134133977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).