N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide

C22H24N2O2S — CID 16890478

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
SMILESCN(C)c1ccc(CCNS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-24(2)21-12-8-18(9-13-21)16-17-23-27(25,26)22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-15,23H,16-17H2,1-2H3
InChIKeyURURIYOUGIBYAL-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.94
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide (PubChem CID 16890478) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
PubChem CID16890478
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
SMILESCN(C)c1ccc(CCNS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-24(2)21-12-8-18(9-13-21)16-17-23-27(25,26)22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-15,23H,16-17H2,1-2H3
InChIKeyURURIYOUGIBYAL-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429
N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide
CID 16890812
3-[2-[4-(dimethylamino)phenyl]ethylsulfamoyl]benzoic acid
CID 110627132
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 16890415
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 16890439
N-[2-[4-(dimethylamino)phenyl]ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 52858164
4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
CID 961989
N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
CID 139492880
N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603
4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide
CID 58615561
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide (CID 16890478) is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide is CN(C)c1ccc(CCNS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide?
The InChIKey is URURIYOUGIBYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-24(2)21-12-8-18(9-13-21)16-17-23-27(25,26)22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-15,23H,16-17H2,1-2H3.
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 16890478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).