3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole

C20H15N3O2S — CID 155213349

IUPAC3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)n1cnc(-c2ccccc2)n1
InChIInChI=1S/C20H15N3O2S/c24-26(25,23-15-21-20(22-23)18-9-5-2-6-10-18)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15H
InChIKeyPYRXYCWCWIFKLA-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.85
Rot. Bonds4

About 3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole

3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole (PubChem CID 155213349) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole.

Molecular Properties

Compound Name3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole
PubChem CID155213349
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)n1cnc(-c2ccccc2)n1
InChIInChI=1S/C20H15N3O2S/c24-26(25,23-15-21-20(22-23)18-9-5-2-6-10-18)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15H
InChIKeyPYRXYCWCWIFKLA-UHFFFAOYSA-N
XLogP3.85
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-4'-(1-(2-phenylpiperidine-1-carbonyl)-1H-1,2,4-triazol-3-yl)-[1,1'-biphenyl]-4-sulfonamide (4)
CID 123131601
1-(4-Methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643
3-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazol-5-amine
CID 828557
1H-1,2,4-Triazole, 5-(p-sulfamoylphenyl)-
CID 199762
3-phenyl-1-(phenylsulfonyl)-1H-1,2,4-triazol-5-amine
CID 828541
1-((4-Fluorophenyl)sulfonyl)-3-phenyl-1H-1,2,4-triazole
CID 155213272
1-(4-Fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 155213280
N-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 44318267
1-(4-Fluorobenzenesulfonyl)-4-(3-phenyl-4H-1,2,4-triazol-4-YL)piperidine
CID 124041257
3-(2-Phenylethyl)-1-(phenylsulfonyl)-1H-1,2,4-triazole
CID 374344
1-(Benzenesulfonyl)-4-(3-phenyl-4H-1,2,4-triazol-4-YL)piperidine
CID 91905034
1-(2-Methylbenzenesulfonyl)-4-(3-phenyl-4H-1,2,4-triazol-4-YL)piperidine
CID 91905035

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole?
The IUPAC name of 3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole (CID 155213349) is 3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole.
What is the SMILES notation for 3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole?
The canonical SMILES for 3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole is O=S(=O)(c1ccc(-c2ccccc2)cc1)n1cnc(-c2ccccc2)n1.
What is the InChIKey of 3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole?
The InChIKey is PYRXYCWCWIFKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-26(25,23-15-21-20(22-23)18-9-5-2-6-10-18)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15H.
What are the key properties of 3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole?
3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole has a molecular weight of 361.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole is sourced from PubChem (CID 155213349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).