1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole

C15H12FN3O2S — CID 18313623

IUPAC1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole
SMILESO=S(=O)(Cn1ncnc1-c1ccccc1F)c1ccccc1
InChIInChI=1S/C15H12FN3O2S/c16-14-9-5-4-8-13(14)15-17-10-18-19(15)11-22(20,21)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeySYQFQZALCYGKPN-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.52
Rot. Bonds4

About 1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole

1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole (PubChem CID 18313623) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole
PubChem CID18313623
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole
SMILESO=S(=O)(Cn1ncnc1-c1ccccc1F)c1ccccc1
InChIInChI=1S/C15H12FN3O2S/c16-14-9-5-4-8-13(14)15-17-10-18-19(15)11-22(20,21)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeySYQFQZALCYGKPN-UHFFFAOYSA-N
XLogP2.52
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole?
The IUPAC name of 1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole (CID 18313623) is 1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole?
The canonical SMILES for 1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole is O=S(=O)(Cn1ncnc1-c1ccccc1F)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole?
The InChIKey is SYQFQZALCYGKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-14-9-5-4-8-13(14)15-17-10-18-19(15)11-22(20,21)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole?
1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole has a molecular weight of 317.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonylmethyl)-5-(2-fluorophenyl)-1,2,4-triazole is sourced from PubChem (CID 18313623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).