2-(2-methyl-4-phenylphenyl)sulfonyltriazole

C15H13N3O2S — CID 162517850

IUPAC2-(2-methyl-4-phenylphenyl)sulfonyltriazole
SMILESCc1cc(-c2ccccc2)ccc1S(=O)(=O)n1nccn1
InChIInChI=1S/C15H13N3O2S/c1-12-11-14(13-5-3-2-4-6-13)7-8-15(12)21(19,20)18-16-9-10-17-18/h2-11H,1H3
InChIKeyIHFUAKICLNOPOW-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-methyl-4-phenylphenyl)sulfonyltriazole

2-(2-methyl-4-phenylphenyl)sulfonyltriazole (PubChem CID 162517850) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(2-methyl-4-phenylphenyl)sulfonyltriazole.

Molecular Properties

Compound Name2-(2-methyl-4-phenylphenyl)sulfonyltriazole
PubChem CID162517850
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(2-methyl-4-phenylphenyl)sulfonyltriazole
SMILESCc1cc(-c2ccccc2)ccc1S(=O)(=O)n1nccn1
InChIInChI=1S/C15H13N3O2S/c1-12-11-14(13-5-3-2-4-6-13)7-8-15(12)21(19,20)18-16-9-10-17-18/h2-11H,1H3
InChIKeyIHFUAKICLNOPOW-UHFFFAOYSA-N
XLogP2.49
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dimethyl-4-phenylbenzene;2H-triazole
CID 158820785
N-(4-hydroxybutyl)-2-methyl-4-phenylbenzenesulfonamide
CID 67243737
4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride
CID 23452824
2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176514
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene
CID 158920303
4-iodo-1-(4-methylphenyl)sulfonyl-5-(4-phenylphenyl)pyrazole
CID 164680523
1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole
CID 22771646
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
2-fluoro-4-phenylbenzenesulfonyl chloride
CID 46314814
2-methyl-4-phenylbenzoate
CID 21114953

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-phenylphenyl)sulfonyltriazole?
The IUPAC name of 2-(2-methyl-4-phenylphenyl)sulfonyltriazole (CID 162517850) is 2-(2-methyl-4-phenylphenyl)sulfonyltriazole.
What is the SMILES notation for 2-(2-methyl-4-phenylphenyl)sulfonyltriazole?
The canonical SMILES for 2-(2-methyl-4-phenylphenyl)sulfonyltriazole is Cc1cc(-c2ccccc2)ccc1S(=O)(=O)n1nccn1.
What is the InChIKey of 2-(2-methyl-4-phenylphenyl)sulfonyltriazole?
The InChIKey is IHFUAKICLNOPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-12-11-14(13-5-3-2-4-6-13)7-8-15(12)21(19,20)18-16-9-10-17-18/h2-11H,1H3.
What are the key properties of 2-(2-methyl-4-phenylphenyl)sulfonyltriazole?
2-(2-methyl-4-phenylphenyl)sulfonyltriazole has a molecular weight of 299.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-phenylphenyl)sulfonyltriazole is sourced from PubChem (CID 162517850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).