3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide

C3H2F3N3O2S2 — CID 107305850

IUPAC3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide
SMILESNS(=O)(=O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C3H2F3N3O2S2/c4-3(5,6)1-8-2(12-9-1)13(7,10)11/h(H2,7,10,11)
InChIKeyVRIPGTXGHDKVRR-UHFFFAOYSA-N
MW233.20 g/mol
LogP0.20
Rot. Bonds1

About 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide

3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide (PubChem CID 107305850) has the molecular formula C3H2F3N3O2S2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide
PubChem CID107305850
Molecular FormulaC3H2F3N3O2S2
Molecular Weight233.20 g/mol
Exact Mass232.95
IUPAC Name3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide
SMILESNS(=O)(=O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C3H2F3N3O2S2/c4-3(5,6)1-8-2(12-9-1)13(7,10)11/h(H2,7,10,11)
InChIKeyVRIPGTXGHDKVRR-UHFFFAOYSA-N
XLogP0.20
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide?
The IUPAC name of 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide (CID 107305850) is 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide.
What is the SMILES notation for 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide?
The canonical SMILES for 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide is NS(=O)(=O)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide?
The InChIKey is VRIPGTXGHDKVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3N3O2S2/c4-3(5,6)1-8-2(12-9-1)13(7,10)11/h(H2,7,10,11).
What are the key properties of 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide?
3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide has a molecular weight of 233.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonamide is sourced from PubChem (CID 107305850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).