4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole

C15H9F3N2O2S2 — CID 3720994

IUPAC4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)c1snnc1-c1ccccc1
InChIInChI=1S/C15H9F3N2O2S2/c16-15(17,18)11-7-4-8-12(9-11)24(21,22)14-13(19-20-23-14)10-5-2-1-3-6-10/h1-9H
InChIKeyGTMUXUDCPDTHGW-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.06
Rot. Bonds3

About 4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole

4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole (PubChem CID 3720994) has the molecular formula C15H9F3N2O2S2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole.

Molecular Properties

Compound Name4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole
PubChem CID3720994
Molecular FormulaC15H9F3N2O2S2
Molecular Weight370.38 g/mol
Exact Mass370.01
IUPAC Name4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)c1snnc1-c1ccccc1
InChIInChI=1S/C15H9F3N2O2S2/c16-15(17,18)11-7-4-8-12(9-11)24(21,22)14-13(19-20-23-14)10-5-2-1-3-6-10/h1-9H
InChIKeyGTMUXUDCPDTHGW-UHFFFAOYSA-N
XLogP4.06
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(2-chlorophenyl)sulfonyl-4-phenylthiadiazole
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CID 70262336
N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine
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methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium
CID 59280550
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole
CID 639838
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CID 53335677

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole?
The IUPAC name of 4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole (CID 3720994) is 4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole.
What is the SMILES notation for 4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole?
The canonical SMILES for 4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole is O=S(=O)(c1cccc(C(F)(F)F)c1)c1snnc1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole?
The InChIKey is GTMUXUDCPDTHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2S2/c16-15(17,18)11-7-4-8-12(9-11)24(21,22)14-13(19-20-23-14)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole?
4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole has a molecular weight of 370.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole is sourced from PubChem (CID 3720994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).