N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide

C20H21N3O2S — CID 112983750

IUPACN-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
SMILESCN(CCc1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-23(16-13-17-11-14-21-15-12-17)19-9-7-18(8-10-19)22-26(24,25)20-5-3-2-4-6-20/h2-12,14-15,22H,13,16H2,1H3
InChIKeyJPSDSEVXLRIQIS-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.56
Rot. Bonds7

About N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide

N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide (PubChem CID 112983750) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
PubChem CID112983750
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
SMILESCN(CCc1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-23(16-13-17-11-14-21-15-12-17)19-9-7-18(8-10-19)22-26(24,25)20-5-3-2-4-6-20/h2-12,14-15,22H,13,16H2,1H3
InChIKeyJPSDSEVXLRIQIS-UHFFFAOYSA-N
XLogP3.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983762
N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
CID 113028583
4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
CID 113028585
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]propanamide
CID 112983683
2-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983699
N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline
CID 60913207
N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]benzenesulfonamide
CID 46943286
N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide
CID 112985062
N-[4-(3-oxobutyl)phenyl]benzenesulfonamide
CID 67020204
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983707

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide (CID 112983750) is N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide is CN(CCc1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide?
The InChIKey is JPSDSEVXLRIQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-23(16-13-17-11-14-21-15-12-17)19-9-7-18(8-10-19)22-26(24,25)20-5-3-2-4-6-20/h2-12,14-15,22H,13,16H2,1H3.
What are the key properties of N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide?
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 112983750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).