N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

C19H21ClN2O3S — CID 1077666

IUPACN-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O3S/c20-17-6-8-18(9-7-17)26(24,25)22-12-10-16(11-13-22)19(23)21-14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,21,23)
InChIKeyGIJGHINOALWYCL-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.06
Rot. Bonds5

About N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1077666) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1077666
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O3S/c20-17-6-8-18(9-7-17)26(24,25)22-12-10-16(11-13-22)19(23)21-14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,21,23)
InChIKeyGIJGHINOALWYCL-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide (CID 1077666) is N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is GIJGHINOALWYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-17-6-8-18(9-7-17)26(24,25)22-12-10-16(11-13-22)19(23)21-14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,21,23).
What are the key properties of N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1077666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).