2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide

C4H3F3N2O2S2 — CID 106784107

IUPAC2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2O2S2/c5-4(6,7)3-9-1-2(12-3)13(8,10)11/h1H,(H2,8,10,11)
InChIKeyQQMHGPKNPJPNJO-UHFFFAOYSA-N
MW232.21 g/mol
LogP0.81
Rot. Bonds1

About 2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide

2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 106784107) has the molecular formula C4H3F3N2O2S2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
PubChem CID106784107
Molecular FormulaC4H3F3N2O2S2
Molecular Weight232.21 g/mol
Exact Mass231.96
IUPAC Name2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2O2S2/c5-4(6,7)3-9-1-2(12-3)13(8,10)11/h1H,(H2,8,10,11)
InChIKeyQQMHGPKNPJPNJO-UHFFFAOYSA-N
XLogP0.81
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide (CID 106784107) is 2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is QQMHGPKNPJPNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O2S2/c5-4(6,7)3-9-1-2(12-3)13(8,10)11/h1H,(H2,8,10,11).
What are the key properties of 2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide?
2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 232.21 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106784107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).