1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide

C21H24ClN3O4S — CID 4826818

IUPAC1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C21H24ClN3O4S/c1-24(2)30(28,29)19-7-3-6-18(13-19)23-20(26)16-5-4-12-25(14-16)21(27)15-8-10-17(22)11-9-15/h3,6-11,13,16H,4-5,12,14H2,1-2H3,(H,23,26)
InChIKeyGAVRVPBLQAGCLH-UHFFFAOYSA-N
MW449.96 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 4826818) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
PubChem CID4826818
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC Name1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C21H24ClN3O4S/c1-24(2)30(28,29)19-7-3-6-18(13-19)23-20(26)16-5-4-12-25(14-16)21(27)15-8-10-17(22)11-9-15/h3,6-11,13,16H,4-5,12,14H2,1-2H3,(H,23,26)
InChIKeyGAVRVPBLQAGCLH-UHFFFAOYSA-N
XLogP3.08
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide (CID 4826818) is 1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is GAVRVPBLQAGCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-24(2)30(28,29)19-7-3-6-18(13-19)23-20(26)16-5-4-12-25(14-16)21(27)15-8-10-17(22)11-9-15/h3,6-11,13,16H,4-5,12,14H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 449.96 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 4826818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).