1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone

C13H8ClF3O2S2 — CID 115478142

IUPAC1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone
SMILESO=C(CS(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H8ClF3O2S2/c14-12-5-4-11(20-12)10(18)7-21(19)9-3-1-2-8(6-9)13(15,16)17/h1-6H,7H2
InChIKeyKOPDMUIDTQBOTL-UHFFFAOYSA-N
MW352.79 g/mol
LogP4.41
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone

1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone (PubChem CID 115478142) has the molecular formula C13H8ClF3O2S2 and a molecular weight of 352.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone
PubChem CID115478142
Molecular FormulaC13H8ClF3O2S2
Molecular Weight352.79 g/mol
Exact Mass351.96
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone
SMILESO=C(CS(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H8ClF3O2S2/c14-12-5-4-11(20-12)10(18)7-21(19)9-3-1-2-8(6-9)13(15,16)17/h1-6H,7H2
InChIKeyKOPDMUIDTQBOTL-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone
CID 64640094
4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide
CID 55350664
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 42966409
5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
CID 90550637
CID 53444038
CID 53444038
2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 71283389
[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
CID 115478175
1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 60624529
3-(5-chlorothiophen-2-yl)-N'-[3-(trifluoromethyl)phenyl]propanehydrazide
CID 56518742
2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 64635343
3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
CID 103372598
[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 5-chlorothiophene-2-carboxylate
CID 46508077

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone (CID 115478142) is 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone is O=C(CS(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone?
The InChIKey is KOPDMUIDTQBOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O2S2/c14-12-5-4-11(20-12)10(18)7-21(19)9-3-1-2-8(6-9)13(15,16)17/h1-6H,7H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone?
1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone has a molecular weight of 352.79 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone is sourced from PubChem (CID 115478142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).