ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate

C14H16O4S — CID 10039308

IUPACethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate
SMILESC=CC1CC1(C(=O)OCC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H16O4S/c1-3-11-10-14(11,13(15)18-4-2)19(16,17)12-8-6-5-7-9-12/h3,5-9,11H,1,4,10H2,2H3
InChIKeyKLVOUFUKHLWORN-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.97
Rot. Bonds5

About ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate

ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate (PubChem CID 10039308) has the molecular formula C14H16O4S and a molecular weight of 280.34 g/mol. Its IUPAC name is ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate
PubChem CID10039308
Molecular FormulaC14H16O4S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Nameethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate
SMILESC=CC1CC1(C(=O)OCC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H16O4S/c1-3-11-10-14(11,13(15)18-4-2)19(16,17)12-8-6-5-7-9-12/h3,5-9,11H,1,4,10H2,2H3
InChIKeyKLVOUFUKHLWORN-UHFFFAOYSA-N
XLogP1.97
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl (phenylsulphonyl)acetate
CID 82078
2-(Benzenesulfonyl)ethyl acetate
CID 44377376
Ethyl 3,3-dimethyl-4-oxo-5-(phenylsulfonyl)pentanoate
CID 44437616
Ethyl 2-(benzenesulfonyl)-1-fluorocyclopropane-1-carboxylate
CID 135063084
1-(Phenylsulfonyl)cyclopropanecarboxylic acid
CID 786445
Ethyl 2-(benzenesulfonyl)propanoate
CID 10728867
(1R,5S)-1-(Phenylsulfonyl)-3-oxabicyclo[3.1.0]hexan-2-one
CID 11096656
Ethyl 3-(phenylsulfonyl)propanoate
CID 14936371
4-(Benzenesulfonyl)oxane-4-carboxylic acid
CID 43519389
trans-tert-butyl (1S,2R)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate
CID 10924568
cis-ethyl (1S,2S)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate
CID 101902638
trans-ethyl (1S,2R)-2-(benzenesulfonyl)-2-fluorocyclopropane-1-carboxylate
CID 101902640

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate (CID 10039308) is ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate is C=CC1CC1(C(=O)OCC)S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate?
The InChIKey is KLVOUFUKHLWORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4S/c1-3-11-10-14(11,13(15)18-4-2)19(16,17)12-8-6-5-7-9-12/h3,5-9,11H,1,4,10H2,2H3.
What are the key properties of ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate?
ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate has a molecular weight of 280.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 10039308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).