3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride

C3ClF3N2O2S2 — CID 107305845

IUPAC3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C3ClF3N2O2S2/c4-13(10,11)2-8-1(9-12-2)3(5,6)7
InChIKeyHSPZNVIAJNDYFJ-UHFFFAOYSA-N
MW252.63 g/mol
LogP1.48
Rot. Bonds1

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

3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride (PubChem CID 107305845) has the molecular formula C3ClF3N2O2S2 and a molecular weight of 252.63 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride
PubChem CID107305845
Molecular FormulaC3ClF3N2O2S2
Molecular Weight252.63 g/mol
Exact Mass251.90
IUPAC Name3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C3ClF3N2O2S2/c4-13(10,11)2-8-1(9-12-2)3(5,6)7
InChIKeyHSPZNVIAJNDYFJ-UHFFFAOYSA-N
XLogP1.48
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.63
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride?
The IUPAC name of 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride (CID 107305845) is 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride.
What is the SMILES notation for 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride?
The canonical SMILES for 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride is O=S(=O)(Cl)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride?
The InChIKey is HSPZNVIAJNDYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3ClF3N2O2S2/c4-13(10,11)2-8-1(9-12-2)3(5,6)7.
What are the key properties of 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride?
3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride has a molecular weight of 252.63 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2,4-thiadiazole-5-sulfonyl chloride is sourced from PubChem (CID 107305845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).