cyclohexyl 2-(4-methylphenyl)sulfonylacetate

C15H20O4S — CID 139933547

IUPACcyclohexyl 2-(4-methylphenyl)sulfonylacetate
SMILESCc1ccc(S(=O)(=O)CC(=O)OC2CCCCC2)cc1
InChIInChI=1S/C15H20O4S/c1-12-7-9-14(10-8-12)20(17,18)11-15(16)19-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3
InChIKeyQCVBCKOYEPJNEJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.64
Rot. Bonds4

About cyclohexyl 2-(4-methylphenyl)sulfonylacetate

cyclohexyl 2-(4-methylphenyl)sulfonylacetate (PubChem CID 139933547) has the molecular formula C15H20O4S and a molecular weight of 296.39 g/mol. Its IUPAC name is cyclohexyl 2-(4-methylphenyl)sulfonylacetate.

Molecular Properties

Compound Namecyclohexyl 2-(4-methylphenyl)sulfonylacetate
PubChem CID139933547
Molecular FormulaC15H20O4S
Molecular Weight296.39 g/mol
Exact Mass296.11
IUPAC Namecyclohexyl 2-(4-methylphenyl)sulfonylacetate
SMILESCc1ccc(S(=O)(=O)CC(=O)OC2CCCCC2)cc1
InChIInChI=1S/C15H20O4S/c1-12-7-9-14(10-8-12)20(17,18)11-15(16)19-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3
InChIKeyQCVBCKOYEPJNEJ-UHFFFAOYSA-N
XLogP2.64
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl 2-(cyclohexylamino)acetate;4-methylbenzenesulfonic acid
CID 89497102
cyclohexyl 2-methoxysulfonylacetate
CID 90222359
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
phenyl 2-(4-methylphenyl)sulfonylacetate
CID 102223782
1-cyclohexyl-3-[[2-(4-methylphenyl)sulfonylacetyl]amino]thiourea
CID 4287638
cyclohexanol;cyclohexyl 4-methylbenzenesulfonate
CID 159499351
2,2,2-trichloroethyl 2-(4-methylphenyl)sulfonylacetate
CID 14709852
cyclobutyl 2-(4-methylanilino)acetate
CID 62217583
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
cyclopentyl 1-aminocyclobutane-1-carboxylate;4-methylbenzenesulfonic acid
CID 86720670
cyclohexyl 2-[(4-cyanophenyl)sulfonyl-methylamino]acetate
CID 24662229
3-(4-methylphenyl)sulfonyl-2-oxopropanal
CID 174250948

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-methylphenyl)sulfonylacetate?
The IUPAC name of cyclohexyl 2-(4-methylphenyl)sulfonylacetate (CID 139933547) is cyclohexyl 2-(4-methylphenyl)sulfonylacetate.
What is the SMILES notation for cyclohexyl 2-(4-methylphenyl)sulfonylacetate?
The canonical SMILES for cyclohexyl 2-(4-methylphenyl)sulfonylacetate is Cc1ccc(S(=O)(=O)CC(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl 2-(4-methylphenyl)sulfonylacetate?
The InChIKey is QCVBCKOYEPJNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4S/c1-12-7-9-14(10-8-12)20(17,18)11-15(16)19-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3.
What are the key properties of cyclohexyl 2-(4-methylphenyl)sulfonylacetate?
cyclohexyl 2-(4-methylphenyl)sulfonylacetate has a molecular weight of 296.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-methylphenyl)sulfonylacetate is sourced from PubChem (CID 139933547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).