1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone

C12H7ClF2O3S2 — CID 64635195

IUPAC1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone
SMILESO=C(CS(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)s1
InChIInChI=1S/C12H7ClF2O3S2/c13-12-4-3-10(19-12)9(16)6-20(17,18)11-5-7(14)1-2-8(11)15/h1-5H,6H2
InChIKeyJICHMPGWSZUOQU-UHFFFAOYSA-N
MW336.77 g/mol
LogP3.34
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone

1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone (PubChem CID 64635195) has the molecular formula C12H7ClF2O3S2 and a molecular weight of 336.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone
PubChem CID64635195
Molecular FormulaC12H7ClF2O3S2
Molecular Weight336.77 g/mol
Exact Mass335.95
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone
SMILESO=C(CS(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)s1
InChIInChI=1S/C12H7ClF2O3S2/c13-12-4-3-10(19-12)9(16)6-20(17,18)11-5-7(14)1-2-8(11)15/h1-5H,6H2
InChIKeyJICHMPGWSZUOQU-UHFFFAOYSA-N
XLogP3.34
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-difluorophenyl)sulfonyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64636515
1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfonylethanone
CID 64635830
2-(5-chloro-2-fluorophenyl)sulfonylacetic acid
CID 82481568
3-(2,5-difluorophenyl)sulfonylpropanoic acid
CID 16774065
(2-chloro-5-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 105396607
(5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone
CID 110815113
1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone
CID 107767899
2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone
CID 64643112
2-(6-chlorohexylsulfonyl)-1,4-difluorobenzene
CID 62227813
2,5-difluorobenzenesulfonic acid;hydrochloride
CID 174777821
2-(2,5-difluorophenyl)sulfonyl-N-(2,4-dimethylphenyl)acetamide
CID 75527725
3-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 64558760

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone (CID 64635195) is 1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone is O=C(CS(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone?
The InChIKey is JICHMPGWSZUOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2O3S2/c13-12-4-3-10(19-12)9(16)6-20(17,18)11-5-7(14)1-2-8(11)15/h1-5H,6H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone?
1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone has a molecular weight of 336.77 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)sulfonylethanone is sourced from PubChem (CID 64635195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).