[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate

C23H27ClN2O5S — CID 55318010

IUPAC[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
SMILESCCC1CCCCN1C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C23H27ClN2O5S/c1-3-19-10-4-5-13-26(19)22(27)16-31-23(28)17-8-6-12-21(14-17)32(29,30)25(2)20-11-7-9-18(24)15-20/h6-9,11-12,14-15,19H,3-5,10,13,16H2,1-2H3
InChIKeyHKGAKIKWIWXUMY-UHFFFAOYSA-N
MW479.00 g/mol
LogP4.11
Rot. Bonds7

About [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate (PubChem CID 55318010) has the molecular formula C23H27ClN2O5S and a molecular weight of 479.00 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
PubChem CID55318010
Molecular FormulaC23H27ClN2O5S
Molecular Weight479.00 g/mol
Exact Mass478.13
IUPAC Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
SMILESCCC1CCCCN1C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C23H27ClN2O5S/c1-3-19-10-4-5-13-26(19)22(27)16-31-23(28)17-8-6-12-21(14-17)32(29,30)25(2)20-11-7-9-18(24)15-20/h6-9,11-12,14-15,19H,3-5,10,13,16H2,1-2H3
InChIKeyHKGAKIKWIWXUMY-UHFFFAOYSA-N
XLogP4.11
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate with MolForge

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 16535046
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577860
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017769
[2-(4-methylanilino)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 42965242
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate
CID 11930617
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 7842559
(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 27347939
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate
CID 46791269
[2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 16535037
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 7203935
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 29155226
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 46789619

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate (CID 55318010) is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate is CCC1CCCCN1C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The InChIKey is HKGAKIKWIWXUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O5S/c1-3-19-10-4-5-13-26(19)22(27)16-31-23(28)17-8-6-12-21(14-17)32(29,30)25(2)20-11-7-9-18(24)15-20/h6-9,11-12,14-15,19H,3-5,10,13,16H2,1-2H3.
What are the key properties of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate has a molecular weight of 479.00 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 55318010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).