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

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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).