1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone

C13H17ClO3S2 — CID 64635814

IUPAC1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone
SMILESCC1CCCC(S(=O)(=O)CC(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C13H17ClO3S2/c1-9-3-2-4-10(7-9)19(16,17)8-11(15)12-5-6-13(14)18-12/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyZOWIFVXIQUDHKD-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.58
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone

1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone (PubChem CID 64635814) has the molecular formula C13H17ClO3S2 and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone
PubChem CID64635814
Molecular FormulaC13H17ClO3S2
Molecular Weight320.86 g/mol
Exact Mass320.03
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone
SMILESCC1CCCC(S(=O)(=O)CC(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C13H17ClO3S2/c1-9-3-2-4-10(7-9)19(16,17)8-11(15)12-5-6-13(14)18-12/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyZOWIFVXIQUDHKD-UHFFFAOYSA-N
XLogP3.58
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-2-(3-methylcyclohexyl)sulfonylethanone
CID 64636006
2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone
CID 64635420
1-(5-chlorothiophen-2-yl)-3-cyclopropylpropane-1,3-dione
CID 63320072
1-(5-chlorothiophen-2-yl)-2-(3-methylbutylsulfonyl)ethanone
CID 107767899
1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
CID 43161016
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123229
1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864555
1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone
CID 60644172
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfonylethanone
CID 64635830
1-(5-chlorothiophen-2-yl)-2-[cyclopentyl(2-hydroxyethyl)amino]ethanone
CID 62037060
5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide
CID 55185888

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone (CID 64635814) is 1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone is CC1CCCC(S(=O)(=O)CC(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone?
The InChIKey is ZOWIFVXIQUDHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3S2/c1-9-3-2-4-10(7-9)19(16,17)8-11(15)12-5-6-13(14)18-12/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone?
1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone has a molecular weight of 320.86 g/mol, XLogP of 3.58, 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-(3-methylcyclohexyl)sulfonylethanone is sourced from PubChem (CID 64635814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).