N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline

C23H24N2O2S — CID 141192151

IUPACN-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline
SMILESO=S(=O)(c1ccccc1)c1ccc(Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C23H24N2O2S/c26-28(27,20-9-3-1-4-10-20)21-15-13-19(14-16-21)24-22-11-5-6-12-23(22)25-17-7-2-8-18-25/h1,3-6,9-16,24H,2,7-8,17-18H2
InChIKeyFOBUYYGIXHCHFG-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.25
Rot. Bonds5

About N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline

N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline (PubChem CID 141192151) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline
PubChem CID141192151
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline
SMILESO=S(=O)(c1ccccc1)c1ccc(Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C23H24N2O2S/c26-28(27,20-9-3-1-4-10-20)21-15-13-19(14-16-21)24-22-11-5-6-12-23(22)25-17-7-2-8-18-25/h1,3-6,9-16,24H,2,7-8,17-18H2
InChIKeyFOBUYYGIXHCHFG-UHFFFAOYSA-N
XLogP5.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
N-phenyl-2,4-di(piperidin-1-yl)aniline
CID 69351755
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382
N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
CID 137376661
N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide
CID 112988829
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797
N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
CID 38282895

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline?
The IUPAC name of N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline (CID 141192151) is N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline.
What is the SMILES notation for N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline?
The canonical SMILES for N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline is O=S(=O)(c1ccccc1)c1ccc(Nc2ccccc2N2CCCCC2)cc1.
What is the InChIKey of N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline?
The InChIKey is FOBUYYGIXHCHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c26-28(27,20-9-3-1-4-10-20)21-15-13-19(14-16-21)24-22-11-5-6-12-23(22)25-17-7-2-8-18-25/h1,3-6,9-16,24H,2,7-8,17-18H2.
What are the key properties of N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline?
N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline has a molecular weight of 392.52 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)phenyl]-2-piperidin-1-ylaniline is sourced from PubChem (CID 141192151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).