N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide

C19H22N2O3S — CID 119320769

IUPACN-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C1CCCNC1
InChIInChI=1S/C19H22N2O3S/c22-19(16-7-5-11-20-13-16)21-17-8-4-6-15(12-17)14-25(23,24)18-9-2-1-3-10-18/h1-4,6,8-10,12,16,20H,5,7,11,13-14H2,(H,21,22)
InChIKeyONXQEMFSMYFMFV-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.60
Rot. Bonds5

About N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide

N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide (PubChem CID 119320769) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide
PubChem CID119320769
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C1CCCNC1
InChIInChI=1S/C19H22N2O3S/c22-19(16-7-5-11-20-13-16)21-17-8-4-6-15(12-17)14-25(23,24)18-9-2-1-3-10-18/h1-4,6,8-10,12,16,20H,5,7,11,13-14H2,(H,21,22)
InChIKeyONXQEMFSMYFMFV-UHFFFAOYSA-N
XLogP2.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119320762
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327480
N-(3-benzoylphenyl)piperidine-3-carboxamide
CID 119279700
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119327223
N-[3-(tert-butylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327256
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 119676613
N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
CID 119263523
methyl 2-[[3-(piperidine-3-carbonylamino)phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318862

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide (CID 119320769) is N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C1CCCNC1.
What is the InChIKey of N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is ONXQEMFSMYFMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(16-7-5-11-20-13-16)21-17-8-4-6-15(12-17)14-25(23,24)18-9-2-1-3-10-18/h1-4,6,8-10,12,16,20H,5,7,11,13-14H2,(H,21,22).
What are the key properties of N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide?
N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119320769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).