[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate

C23H27ClN2O5S — CID 46789619

IUPAC[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
SMILESCC1CCN(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C23H27ClN2O5S/c1-16-10-12-26(13-11-16)22(27)17(2)31-23(28)18-6-4-9-21(14-18)32(29,30)25(3)20-8-5-7-19(24)15-20/h4-9,14-17H,10-13H2,1-3H3
InChIKeyKQACHAFXKMYMIC-UHFFFAOYSA-N
MW479.00 g/mol
LogP3.97
Rot. Bonds6

About [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate

[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate (PubChem CID 46789619) has the molecular formula C23H27ClN2O5S and a molecular weight of 479.00 g/mol. Its IUPAC name is [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
PubChem CID46789619
Molecular FormulaC23H27ClN2O5S
Molecular Weight479.00 g/mol
Exact Mass478.13
IUPAC Name[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
SMILESCC1CCN(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C23H27ClN2O5S/c1-16-10-12-26(13-11-16)22(27)17(2)31-23(28)18-6-4-9-21(14-18)32(29,30)25(3)20-8-5-7-19(24)15-20/h4-9,14-17H,10-13H2,1-3H3
InChIKeyKQACHAFXKMYMIC-UHFFFAOYSA-N
XLogP3.97
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 42977769
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753689
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 55318010
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 7440119
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 55366889
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 4803894
[2-oxo-2-(propylamino)ethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 16535046
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78857000
methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate
CID 55343956
(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 27347939
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553641

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The IUPAC name of [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate (CID 46789619) is [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate is CC1CCN(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)CC1.
What is the InChIKey of [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The InChIKey is KQACHAFXKMYMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O5S/c1-16-10-12-26(13-11-16)22(27)17(2)31-23(28)18-6-4-9-21(14-18)32(29,30)25(3)20-8-5-7-19(24)15-20/h4-9,14-17H,10-13H2,1-3H3.
What are the key properties of [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate has a molecular weight of 479.00 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 46789619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).