1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole

C15H9F4N3O2S — CID 155213280

IUPAC1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESO=S(=O)(c1ccc(F)cc1)n1cnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H9F4N3O2S/c16-12-5-7-13(8-6-12)25(23,24)22-9-20-14(21-22)10-1-3-11(4-2-10)15(17,18)19/h1-9H
InChIKeyASVKVIILQGWQKV-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.34
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole

1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 155213280) has the molecular formula C15H9F4N3O2S and a molecular weight of 371.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID155213280
Molecular FormulaC15H9F4N3O2S
Molecular Weight371.32 g/mol
Exact Mass371.04
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESO=S(=O)(c1ccc(F)cc1)n1cnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H9F4N3O2S/c16-12-5-7-13(8-6-12)25(23,24)22-9-20-14(21-22)10-1-3-11(4-2-10)15(17,18)19/h1-9H
InChIKeyASVKVIILQGWQKV-UHFFFAOYSA-N
XLogP3.34
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 155213280) is 1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole is O=S(=O)(c1ccc(F)cc1)n1cnc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is ASVKVIILQGWQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O2S/c16-12-5-7-13(8-6-12)25(23,24)22-9-20-14(21-22)10-1-3-11(4-2-10)15(17,18)19/h1-9H.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole?
1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 371.32 g/mol, XLogP of 3.34, 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-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 155213280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).