2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide

C5H6F3N3O4S3 — CID 107305852

IUPAC2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide
SMILESNS(=O)(=O)CCS(=O)(=O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3O4S3/c6-5(7,8)3-10-4(16-11-3)17(12,13)1-2-18(9,14)15/h1-2H2,(H2,9,14,15)
InChIKeyXBRAMGPZMQLCJT-UHFFFAOYSA-N
MW325.32 g/mol
LogP-0.38
Rot. Bonds4

About 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide (PubChem CID 107305852) has the molecular formula C5H6F3N3O4S3 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide
PubChem CID107305852
Molecular FormulaC5H6F3N3O4S3
Molecular Weight325.32 g/mol
Exact Mass324.95
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide
SMILESNS(=O)(=O)CCS(=O)(=O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3O4S3/c6-5(7,8)3-10-4(16-11-3)17(12,13)1-2-18(9,14)15/h1-2H2,(H2,9,14,15)
InChIKeyXBRAMGPZMQLCJT-UHFFFAOYSA-N
XLogP-0.38
TPSA120.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide (CID 107305852) is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide is NS(=O)(=O)CCS(=O)(=O)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide?
The InChIKey is XBRAMGPZMQLCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O4S3/c6-5(7,8)3-10-4(16-11-3)17(12,13)1-2-18(9,14)15/h1-2H2,(H2,9,14,15).
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide?
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide has a molecular weight of 325.32 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide is sourced from PubChem (CID 107305852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).