2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine

C14H12N4O2S — CID 828541

IUPAC2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine
SMILESNc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12N4O2S/c15-14-16-13(11-7-3-1-4-8-11)17-18(14)21(19,20)12-9-5-2-6-10-12/h1-10H,(H2,15,16,17)
InChIKeySCRZJMNUARZGRF-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.76
Rot. Bonds3

About 2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine

2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine (PubChem CID 828541) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine
PubChem CID828541
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine
SMILESNc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12N4O2S/c15-14-16-13(11-7-3-1-4-8-11)17-18(14)21(19,20)12-9-5-2-6-10-12/h1-10H,(H2,15,16,17)
InChIKeySCRZJMNUARZGRF-UHFFFAOYSA-N
XLogP1.76
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine (CID 828541) is 2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine is Nc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine?
The InChIKey is SCRZJMNUARZGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-14-16-13(11-7-3-1-4-8-11)17-18(14)21(19,20)12-9-5-2-6-10-12/h1-10H,(H2,15,16,17).
What are the key properties of 2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine?
2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine has a molecular weight of 300.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 828541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).