5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole

C15H11FN2O2S2 — CID 67725641

IUPAC5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole
SMILESCS(=O)(=O)c1ccc(-c2nnsc2-c2cccc(F)c2)cc1
InChIInChI=1S/C15H11FN2O2S2/c1-22(19,20)13-7-5-10(6-8-13)14-15(21-18-17-14)11-3-2-4-12(16)9-11/h2-9H,1H3
InChIKeyUMGOCCSSFOEJKK-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.41
Rot. Bonds3

About 5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole

5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole (PubChem CID 67725641) has the molecular formula C15H11FN2O2S2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole
PubChem CID67725641
Molecular FormulaC15H11FN2O2S2
Molecular Weight334.40 g/mol
Exact Mass334.02
IUPAC Name5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole
SMILESCS(=O)(=O)c1ccc(-c2nnsc2-c2cccc(F)c2)cc1
InChIInChI=1S/C15H11FN2O2S2/c1-22(19,20)13-7-5-10(6-8-13)14-15(21-18-17-14)11-3-2-4-12(16)9-11/h2-9H,1H3
InChIKeyUMGOCCSSFOEJKK-UHFFFAOYSA-N
XLogP3.41
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole?
The IUPAC name of 5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole (CID 67725641) is 5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole.
What is the SMILES notation for 5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole?
The canonical SMILES for 5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole is CS(=O)(=O)c1ccc(-c2nnsc2-c2cccc(F)c2)cc1.
What is the InChIKey of 5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole?
The InChIKey is UMGOCCSSFOEJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S2/c1-22(19,20)13-7-5-10(6-8-13)14-15(21-18-17-14)11-3-2-4-12(16)9-11/h2-9H,1H3.
What are the key properties of 5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole?
5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole has a molecular weight of 334.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole is sourced from PubChem (CID 67725641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).