3-[4-(cyclohexylsulfamoyl)phenyl]propanoate

C15H20NO4S- — CID 7330268

IUPAC3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
SMILESO=C([O-])CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H21NO4S/c17-15(18)11-8-12-6-9-14(10-7-12)21(19,20)16-13-4-2-1-3-5-13/h6-7,9-10,13,16H,1-5,8,11H2,(H,17,18)/p-1
InChIKeyWKRAZYBIQLIHDY-UHFFFAOYSA-M
MW310.40 g/mol
LogP0.98
Rot. Bonds6

About 3-[4-(cyclohexylsulfamoyl)phenyl]propanoate

3-[4-(cyclohexylsulfamoyl)phenyl]propanoate (PubChem CID 7330268) has the molecular formula C15H20NO4S- and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[4-(cyclohexylsulfamoyl)phenyl]propanoate.

Molecular Properties

Compound Name3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
PubChem CID7330268
Molecular FormulaC15H20NO4S-
Molecular Weight310.40 g/mol
Exact Mass310.11
IUPAC Name3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
SMILESO=C([O-])CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H21NO4S/c17-15(18)11-8-12-6-9-14(10-7-12)21(19,20)16-13-4-2-1-3-5-13/h6-7,9-10,13,16H,1-5,8,11H2,(H,17,18)/p-1
InChIKeyWKRAZYBIQLIHDY-UHFFFAOYSA-M
XLogP0.98
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 1211157
N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide
CID 110355911
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 126236174
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 30126755

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylsulfamoyl)phenyl]propanoate?
The IUPAC name of 3-[4-(cyclohexylsulfamoyl)phenyl]propanoate (CID 7330268) is 3-[4-(cyclohexylsulfamoyl)phenyl]propanoate.
What is the SMILES notation for 3-[4-(cyclohexylsulfamoyl)phenyl]propanoate?
The canonical SMILES for 3-[4-(cyclohexylsulfamoyl)phenyl]propanoate is O=C([O-])CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 3-[4-(cyclohexylsulfamoyl)phenyl]propanoate?
The InChIKey is WKRAZYBIQLIHDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21NO4S/c17-15(18)11-8-12-6-9-14(10-7-12)21(19,20)16-13-4-2-1-3-5-13/h6-7,9-10,13,16H,1-5,8,11H2,(H,17,18)/p-1.
What are the key properties of 3-[4-(cyclohexylsulfamoyl)phenyl]propanoate?
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate has a molecular weight of 310.40 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylsulfamoyl)phenyl]propanoate is sourced from PubChem (CID 7330268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).