5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide

C10H8F3N3O2S2 — CID 74225144

IUPAC5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide
SMILESCc1nnc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C10H8F3N3O2S2/c1-6-14-15-9(19-6)20(17,18)16-8-4-2-3-7(5-8)10(11,12)13/h2-5,16H,1H3
InChIKeyJIYBOTLYBZSCOD-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.67
Rot. Bonds3

About 5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide

5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 74225144) has the molecular formula C10H8F3N3O2S2 and a molecular weight of 323.32 g/mol. Its IUPAC name is 5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide
PubChem CID74225144
Molecular FormulaC10H8F3N3O2S2
Molecular Weight323.32 g/mol
Exact Mass323.00
IUPAC Name5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide
SMILESCc1nnc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C10H8F3N3O2S2/c1-6-14-15-9(19-6)20(17,18)16-8-4-2-3-7(5-8)10(11,12)13/h2-5,16H,1H3
InChIKeyJIYBOTLYBZSCOD-UHFFFAOYSA-N
XLogP2.67
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide (CID 74225144) is 5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide is Cc1nnc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is JIYBOTLYBZSCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S2/c1-6-14-15-9(19-6)20(17,18)16-8-4-2-3-7(5-8)10(11,12)13/h2-5,16H,1H3.
What are the key properties of 5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide?
5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 323.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 74225144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).