4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole

C15H12FN3O2S — CID 71623276

IUPAC4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C15H12FN3O2S/c1-11-2-8-14(9-3-11)22(20,21)19-10-15(17-18-19)12-4-6-13(16)7-5-12/h2-10H,1H3
InChIKeyAGYFDTJUSRFGRA-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.63
Rot. Bonds3

About 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole

4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole (PubChem CID 71623276) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole
PubChem CID71623276
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C15H12FN3O2S/c1-11-2-8-14(9-3-11)22(20,21)19-10-15(17-18-19)12-4-6-13(16)7-5-12/h2-10H,1H3
InChIKeyAGYFDTJUSRFGRA-UHFFFAOYSA-N
XLogP2.63
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-4-phenyltriazole
CID 51350838
4-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 171851935
4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 142734107
ethane;1-(4-fluorophenyl)sulfonyl-5-methyl-4-(4-methylphenyl)triazole
CID 164925435
1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole
CID 142733865
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 12531782
1-[1-(4-methylphenyl)sulfonyltriazol-4-yl]cyclooctan-1-ol
CID 102345343
1-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]triazole
CID 53483046
4-[2-[bis(ethylsulfanyl)methyl]-4-bromophenyl]-1-(4-methylphenyl)sulfonyltriazole
CID 138971106
4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole
CID 142733860
(2R,4R)-1-[4-[1-(4-acetamidophenyl)sulfonyltriazol-4-yl]phenyl]bicyclo[1.1.0]butane-2,4-dicarboxylic acid
CID 135362174
5-bromo-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132573373

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole?
The IUPAC name of 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole (CID 71623276) is 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole?
The canonical SMILES for 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole is Cc1ccc(S(=O)(=O)n2cc(-c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole?
The InChIKey is AGYFDTJUSRFGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-11-2-8-14(9-3-11)22(20,21)19-10-15(17-18-19)12-4-6-13(16)7-5-12/h2-10H,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole?
4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole has a molecular weight of 317.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole is sourced from PubChem (CID 71623276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).