N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline

C20H21N3O2S — CID 56883395

IUPACN-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline
SMILESO=S(=O)(NCc1ccccc1)Nc1ccc(CCc2ccccn2)cc1
InChIInChI=1S/C20H21N3O2S/c24-26(25,22-16-18-6-2-1-3-7-18)23-20-13-10-17(11-14-20)9-12-19-8-4-5-15-21-19/h1-8,10-11,13-15,22-23H,9,12,16H2
InChIKeyKDTPRUWMFMZABW-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.31
Rot. Bonds8

About N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline

N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline (PubChem CID 56883395) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline
PubChem CID56883395
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline
SMILESO=S(=O)(NCc1ccccc1)Nc1ccc(CCc2ccccn2)cc1
InChIInChI=1S/C20H21N3O2S/c24-26(25,22-16-18-6-2-1-3-7-18)23-20-13-10-17(11-14-20)9-12-19-8-4-5-15-21-19/h1-8,10-11,13-15,22-23H,9,12,16H2
InChIKeyKDTPRUWMFMZABW-UHFFFAOYSA-N
XLogP3.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzylsulfamoyl)pyridin-2-amine
CID 154490525
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
2-[2-(benzylsulfamoyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111062408
2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate
CID 91276890
2-(7-phenylheptyl)pyridine
CID 54510986
N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 25042955
N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1488551
4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982965
4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3704165
N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide
CID 81485528
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224

Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline (CID 56883395) is N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline is O=S(=O)(NCc1ccccc1)Nc1ccc(CCc2ccccn2)cc1.
What is the InChIKey of N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline?
The InChIKey is KDTPRUWMFMZABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-26(25,22-16-18-6-2-1-3-7-18)23-20-13-10-17(11-14-20)9-12-19-8-4-5-15-21-19/h1-8,10-11,13-15,22-23H,9,12,16H2.
What are the key properties of N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline?
N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline has a molecular weight of 367.47 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-4-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 56883395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).