ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate

C15H18ClNO4S — CID 11624336

IUPACethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCCCC1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO4S/c1-2-21-15(18)13-8-3-4-9-14(13)22(19,20)17-12-7-5-6-11(16)10-12/h5-8,10,14,17H,2-4,9H2,1H3
InChIKeyPXCWEJCDNIBFMX-UHFFFAOYSA-N
MW343.83 g/mol
LogP3.12
Rot. Bonds5

About ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate

ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate (PubChem CID 11624336) has the molecular formula C15H18ClNO4S and a molecular weight of 343.83 g/mol. Its IUPAC name is ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate
PubChem CID11624336
Molecular FormulaC15H18ClNO4S
Molecular Weight343.83 g/mol
Exact Mass343.06
IUPAC Nameethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCCCC1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO4S/c1-2-21-15(18)13-8-3-4-9-14(13)22(19,20)17-12-7-5-6-11(16)10-12/h5-8,10,14,17H,2-4,9H2,1H3
InChIKeyPXCWEJCDNIBFMX-UHFFFAOYSA-N
XLogP3.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11545031
N-(3-chlorophenyl)cyclopropanesulfonamide
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CID 82535073
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ethyl 2-chloro-5-[(3-chlorophenyl)methylsulfonylamino]benzoate
CID 46770198
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl (1E)-N-(3-chlorophenyl)-2-cyclopropyl-2-oxoethanehydrazonate
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CID 93052654

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
The IUPAC name of ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate (CID 11624336) is ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
The canonical SMILES for ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate is CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
The InChIKey is PXCWEJCDNIBFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4S/c1-2-21-15(18)13-8-3-4-9-14(13)22(19,20)17-12-7-5-6-11(16)10-12/h5-8,10,14,17H,2-4,9H2,1H3.
What are the key properties of ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate has a molecular weight of 343.83 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3-chlorophenyl)sulfamoyl]cyclohexene-1-carboxylate is sourced from PubChem (CID 11624336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).