cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate

C14H17ClO4S — CID 65397532

IUPACcyclopentyl 3-chlorosulfonyl-4-ethylbenzoate
SMILESCCc1ccc(C(=O)OC2CCCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H17ClO4S/c1-2-10-7-8-11(9-13(10)20(15,17)18)14(16)19-12-5-3-4-6-12/h7-9,12H,2-6H2,1H3
InChIKeyRGZZDEBQFJTFOI-UHFFFAOYSA-N
MW316.81 g/mol
LogP3.28
Rot. Bonds4

About cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate

cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate (PubChem CID 65397532) has the molecular formula C14H17ClO4S and a molecular weight of 316.81 g/mol. Its IUPAC name is cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate.

Molecular Properties

Compound Namecyclopentyl 3-chlorosulfonyl-4-ethylbenzoate
PubChem CID65397532
Molecular FormulaC14H17ClO4S
Molecular Weight316.81 g/mol
Exact Mass316.05
IUPAC Namecyclopentyl 3-chlorosulfonyl-4-ethylbenzoate
SMILESCCc1ccc(C(=O)OC2CCCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H17ClO4S/c1-2-10-7-8-11(9-13(10)20(15,17)18)14(16)19-12-5-3-4-6-12/h7-9,12H,2-6H2,1H3
InChIKeyRGZZDEBQFJTFOI-UHFFFAOYSA-N
XLogP3.28
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65373953
cyclobutyl 3-chlorosulfonyl-4-(dimethylamino)benzoate
CID 65375300
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
CID 65375309
cyclopentyl 4-chloro-3-sulfamoylbenzoate
CID 65379832
(4-methylcyclohexyl) 3-chlorosulfonyl-4-fluorobenzoate
CID 65397537
cyclohexyl 4-bromo-3-sulfamoylbenzoate
CID 65381840
CID 87698819
CID 87698819
dicyclohexyl 5-chlorosulfonylbenzene-1,3-dicarboxylate
CID 170992105
dicyclohexyl 5-ethylbenzene-1,3-dicarboxylate
CID 23514853
sodium;2,5-bis(cyclohexyloxycarbonyl)benzenesulfonic acid;hydride
CID 173139352
5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride
CID 79179610

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate?
The IUPAC name of cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate (CID 65397532) is cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate.
What is the SMILES notation for cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate?
The canonical SMILES for cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate is CCc1ccc(C(=O)OC2CCCC2)cc1S(=O)(=O)Cl.
What is the InChIKey of cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate?
The InChIKey is RGZZDEBQFJTFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO4S/c1-2-10-7-8-11(9-13(10)20(15,17)18)14(16)19-12-5-3-4-6-12/h7-9,12H,2-6H2,1H3.
What are the key properties of cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate?
cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate has a molecular weight of 316.81 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate is sourced from PubChem (CID 65397532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).