1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone

C8H9ClO3S2 — CID 64643132

IUPAC1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone
SMILESCCS(=O)(=O)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H9ClO3S2/c1-2-14(11,12)5-6(10)7-3-4-8(9)13-7/h3-4H,2,5H2,1H3
InChIKeyPMTZBPYCZHWFHP-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.02
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone

1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone (PubChem CID 64643132) has the molecular formula C8H9ClO3S2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone
PubChem CID64643132
Molecular FormulaC8H9ClO3S2
Molecular Weight252.74 g/mol
Exact Mass251.97
IUPAC Name1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone
SMILESCCS(=O)(=O)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H9ClO3S2/c1-2-14(11,12)5-6(10)7-3-4-8(9)13-7/h3-4H,2,5H2,1H3
InChIKeyPMTZBPYCZHWFHP-UHFFFAOYSA-N
XLogP2.02
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone (CID 64643132) is 1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone is CCS(=O)(=O)CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone?
The InChIKey is PMTZBPYCZHWFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S2/c1-2-14(11,12)5-6(10)7-3-4-8(9)13-7/h3-4H,2,5H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone?
1-(5-chlorothiophen-2-yl)-2-ethylsulfonylethanone has a molecular weight of 252.74 g/mol, XLogP of 2.02, 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-ethylsulfonylethanone is sourced from PubChem (CID 64643132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).