1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole

C15H12FN3O3S — CID 155213267

IUPAC1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-c2ncn(S(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H12FN3O3S/c1-22-13-6-2-11(3-7-13)15-17-10-19(18-15)23(20,21)14-8-4-12(16)5-9-14/h2-10H,1H3
InChIKeyRMWQFKDTLUNORU-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.33
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole

1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole (PubChem CID 155213267) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole
PubChem CID155213267
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-c2ncn(S(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H12FN3O3S/c1-22-13-6-2-11(3-7-13)15-17-10-19(18-15)23(20,21)14-8-4-12(16)5-9-14/h2-10H,1H3
InChIKeyRMWQFKDTLUNORU-UHFFFAOYSA-N
XLogP2.33
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole (CID 155213267) is 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole is COc1ccc(-c2ncn(S(=O)(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole?
The InChIKey is RMWQFKDTLUNORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c1-22-13-6-2-11(3-7-13)15-17-10-19(18-15)23(20,21)14-8-4-12(16)5-9-14/h2-10H,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole?
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole has a molecular weight of 333.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 155213267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).