4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide

C15H14N4O3S — CID 129009672

IUPAC4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cn(-c3ccccc3)nn2)cc1
InChIInChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,20,21)
InChIKeySAASQQDVQJBKBR-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.49
Rot. Bonds5

About 4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide

4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide (PubChem CID 129009672) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide
PubChem CID129009672
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cn(-c3ccccc3)nn2)cc1
InChIInChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,20,21)
InChIKeySAASQQDVQJBKBR-UHFFFAOYSA-N
XLogP1.49
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide?
The IUPAC name of 4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide (CID 129009672) is 4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCc2cn(-c3ccccc3)nn2)cc1.
What is the InChIKey of 4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide?
The InChIKey is SAASQQDVQJBKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,20,21).
What are the key properties of 4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide?
4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenyltriazol-4-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 129009672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).