1-(4-fluorophenyl)sulfonyl-4-phenyltriazole

C14H10FN3O2S — CID 51350838

IUPAC1-(4-fluorophenyl)sulfonyl-4-phenyltriazole
SMILESO=S(=O)(c1ccc(F)cc1)n1cc(-c2ccccc2)nn1
InChIInChI=1S/C14H10FN3O2S/c15-12-6-8-13(9-7-12)21(19,20)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H
InChIKeyIDFSZIBSWDMLON-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.32
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-4-phenyltriazole

1-(4-fluorophenyl)sulfonyl-4-phenyltriazole (PubChem CID 51350838) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-phenyltriazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-phenyltriazole
PubChem CID51350838
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-phenyltriazole
SMILESO=S(=O)(c1ccc(F)cc1)n1cc(-c2ccccc2)nn1
InChIInChI=1S/C14H10FN3O2S/c15-12-6-8-13(9-7-12)21(19,20)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H
InChIKeyIDFSZIBSWDMLON-UHFFFAOYSA-N
XLogP2.32
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 71623276
4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 142734107
4-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 171851935
4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole
CID 142733860
1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole
CID 23649624
1-fluoro-4-phenyltriazole
CID 162765474
4-[4-(2-bromophenyl)triazol-1-yl]sulfonylbenzonitrile
CID 164807046
4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine
CID 2992359
1-benzylsulfonyl-4-(4-bromophenyl)triazole
CID 164807068
1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine
CID 56588669
3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole
CID 155213349
(2R,4R)-1-[4-[1-(4-acetamidophenyl)sulfonyltriazol-4-yl]phenyl]bicyclo[1.1.0]butane-2,4-dicarboxylic acid
CID 135362174

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-phenyltriazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-phenyltriazole (CID 51350838) is 1-(4-fluorophenyl)sulfonyl-4-phenyltriazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-phenyltriazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-phenyltriazole is O=S(=O)(c1ccc(F)cc1)n1cc(-c2ccccc2)nn1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-phenyltriazole?
The InChIKey is IDFSZIBSWDMLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c15-12-6-8-13(9-7-12)21(19,20)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-phenyltriazole?
1-(4-fluorophenyl)sulfonyl-4-phenyltriazole has a molecular weight of 303.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-phenyltriazole is sourced from PubChem (CID 51350838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).