N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide

C20H26N2O2S — CID 70182403

IUPACN-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide
SMILESCC1CNCCC1(C)c1cccc(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C20H26N2O2S/c1-16-14-21-12-11-20(16,2)18-9-6-10-19(13-18)22-25(23,24)15-17-7-4-3-5-8-17/h3-10,13,16,21-22H,11-12,14-15H2,1-2H3
InChIKeyUPEGFFKOFQVARZ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.52
Rot. Bonds5

About N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide

N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 70182403) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide
PubChem CID70182403
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide
SMILESCC1CNCCC1(C)c1cccc(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C20H26N2O2S/c1-16-14-21-12-11-20(16,2)18-9-6-10-19(13-18)22-25(23,24)15-17-7-4-3-5-8-17/h3-10,13,16,21-22H,11-12,14-15H2,1-2H3
InChIKeyUPEGFFKOFQVARZ-UHFFFAOYSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide 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

4-((4-Benzylpiperidin-1-yl)sulfonyl)aniline
CID 2115228
N-[3-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-ylmethyl)-6-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 57345568
N-[3-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-ylmethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
CID 57400106
N-2-(4-(4-aminophenyl)phenyl)propyl 2-propanesulfonamide
CID 10520589
N-{4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenyl}-methanesulfonamide
CID 10715785
N-{4-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-phenyl}-methanesulfonamide
CID 10833784
N-((3R,4R)-1-methyl-4-(3''-(methylsulfonamido)biphenyl-4-yl)pyrrolidin-3-yl)propane-2-sulfonamide
CID 11676790
3-(4-tert-butylphenyl)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]propanethioamide
CID 11855311
N-[4-[(1R,5S)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 16123136
N-[4-[(1R,5S)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-4-butylbenzenesulfonamide
CID 16123353
N-[4-[(1R,5S)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 16123462
3-(2,2-dioxo-1-phenyl-3,4-dihydro-2lambda6,1-benzothiazin-3-yl)-N-methylpropan-1-amine
CID 25109015

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide (CID 70182403) is N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide is CC1CNCCC1(C)c1cccc(NS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is UPEGFFKOFQVARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16-14-21-12-11-20(16,2)18-9-6-10-19(13-18)22-25(23,24)15-17-7-4-3-5-8-17/h3-10,13,16,21-22H,11-12,14-15H2,1-2H3.
What are the key properties of N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide?
N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 70182403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).