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

C5H6F3N3O2S3 — CID 107305851

IUPAC2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide
SMILESNS(=O)(=O)CCSc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3O2S3/c6-5(7,8)3-10-4(15-11-3)14-1-2-16(9,12)13/h1-2H2,(H2,9,12,13)
InChIKeyHAJOINVXISAWNZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.94
Rot. Bonds4

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

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide (PubChem CID 107305851) has the molecular formula C5H6F3N3O2S3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide
PubChem CID107305851
Molecular FormulaC5H6F3N3O2S3
Molecular Weight293.32 g/mol
Exact Mass292.96
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide
SMILESNS(=O)(=O)CCSc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3O2S3/c6-5(7,8)3-10-4(15-11-3)14-1-2-16(9,12)13/h1-2H2,(H2,9,12,13)
InChIKeyHAJOINVXISAWNZ-UHFFFAOYSA-N
XLogP0.94
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 119095948
5-Ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163588582
5-Ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163871675
5-Propan-2-ylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163875250
5-Ethylsulfanyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 170080917
5-(2-Chloroethylsulfonyl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305280
5-(3-Chloropropylsulfonyl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305283
5-(1-Chloropropan-2-ylsulfonyl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305284
5-Ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305285
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonyl chloride
CID 107305846
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonyl chloride
CID 107305847
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide
CID 107305852

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide (CID 107305851) is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide is NS(=O)(=O)CCSc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide?
The InChIKey is HAJOINVXISAWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2S3/c6-5(7,8)3-10-4(15-11-3)14-1-2-16(9,12)13/h1-2H2,(H2,9,12,13).
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide?
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide has a molecular weight of 293.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide is sourced from PubChem (CID 107305851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).