ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate

C15H17ClFNO4S — CID 11545031

IUPACethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m0/s1
InChIKeyLEEIJTHMHDMWLJ-AWEZNQCLSA-N
MW361.82 g/mol
LogP3.26
Rot. Bonds5

About ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate

ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate (PubChem CID 11545031) has the molecular formula C15H17ClFNO4S and a molecular weight of 361.82 g/mol. Its IUPAC name is ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
PubChem CID11545031
Molecular FormulaC15H17ClFNO4S
Molecular Weight361.82 g/mol
Exact Mass361.06
IUPAC Nameethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m0/s1
InChIKeyLEEIJTHMHDMWLJ-AWEZNQCLSA-N
XLogP3.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.82
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
The IUPAC name of ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate (CID 11545031) is ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate.
What is the SMILES notation for ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
The canonical SMILES for ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate is CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
The InChIKey is LEEIJTHMHDMWLJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m0/s1.
What are the key properties of ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate has a molecular weight of 361.82 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate is sourced from PubChem (CID 11545031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).