ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate

C17H23NO4S — CID 11551786

IUPACethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccccc1CC
InChIInChI=1S/C17H23NO4S/c1-3-13-9-5-7-11-15(13)18-23(20,21)16-12-8-6-10-14(16)17(19)22-4-2/h5,7,9-11,16,18H,3-4,6,8,12H2,1-2H3
InChIKeyHWQURAAFPCRGQP-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.03
Rot. Bonds6

About ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate

ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate (PubChem CID 11551786) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate
PubChem CID11551786
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Nameethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccccc1CC
InChIInChI=1S/C17H23NO4S/c1-3-13-9-5-7-11-15(13)18-23(20,21)16-12-8-6-10-14(16)17(19)22-4-2/h5,7,9-11,16,18H,3-4,6,8,12H2,1-2H3
InChIKeyHWQURAAFPCRGQP-UHFFFAOYSA-N
XLogP3.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate?
The IUPAC name of ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate (CID 11551786) is ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate?
The canonical SMILES for ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate is CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccccc1CC.
What is the InChIKey of ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate?
The InChIKey is HWQURAAFPCRGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-3-13-9-5-7-11-15(13)18-23(20,21)16-12-8-6-10-14(16)17(19)22-4-2/h5,7,9-11,16,18H,3-4,6,8,12H2,1-2H3.
What are the key properties of ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate?
ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate has a molecular weight of 337.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-ethylphenyl)sulfamoyl]cyclohexene-1-carboxylate is sourced from PubChem (CID 11551786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).