4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide

C15H13FN4O2S — CID 10193411

IUPAC4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCc1nc(-c2cccc(F)c2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H13FN4O2S/c1-10-18-15(11-3-2-4-12(16)9-11)20(19-10)13-5-7-14(8-6-13)23(17,21)22/h2-9H,1H3,(H2,17,21,22)
InChIKeyZHBDRENPSZJDRB-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.03
Rot. Bonds3

About 4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide

4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide (PubChem CID 10193411) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide
PubChem CID10193411
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCc1nc(-c2cccc(F)c2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H13FN4O2S/c1-10-18-15(11-3-2-4-12(16)9-11)20(19-10)13-5-7-14(8-6-13)23(17,21)22/h2-9H,1H3,(H2,17,21,22)
InChIKeyZHBDRENPSZJDRB-UHFFFAOYSA-N
XLogP2.03
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide (CID 10193411) is 4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide is Cc1nc(-c2cccc(F)c2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide?
The InChIKey is ZHBDRENPSZJDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-10-18-15(11-3-2-4-12(16)9-11)20(19-10)13-5-7-14(8-6-13)23(17,21)22/h2-9H,1H3,(H2,17,21,22).
What are the key properties of 4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide?
4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide has a molecular weight of 332.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10193411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).