4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide

C14H12N4O3S — CID 10403463

IUPAC4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2[nH]c(=O)nc2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4O3S/c15-22(20,21)12-8-6-11(7-9-12)18-13(16-14(19)17-18)10-4-2-1-3-5-10/h1-9H,(H,17,19)(H2,15,20,21)
InChIKeyCZORLIGCVUMCEY-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.88
Rot. Bonds3

About 4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide

4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide (PubChem CID 10403463) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide
PubChem CID10403463
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2[nH]c(=O)nc2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4O3S/c15-22(20,21)12-8-6-11(7-9-12)18-13(16-14(19)17-18)10-4-2-1-3-5-10/h1-9H,(H,17,19)(H2,15,20,21)
InChIKeyCZORLIGCVUMCEY-UHFFFAOYSA-N
XLogP0.88
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide (CID 10403463) is 4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2[nH]c(=O)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide?
The InChIKey is CZORLIGCVUMCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c15-22(20,21)12-8-6-11(7-9-12)18-13(16-14(19)17-18)10-4-2-1-3-5-10/h1-9H,(H,17,19)(H2,15,20,21).
What are the key properties of 4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide?
4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide has a molecular weight of 316.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 10403463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).