4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide

C24H25N3O2S — CID 44586249

IUPAC4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide
SMILESCN(C)Cc1ccc(-c2ccc(CCNS(=O)(=O)c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C24H25N3O2S/c1-27(2)18-21-5-11-23(12-6-21)22-9-3-19(4-10-22)15-16-26-30(28,29)24-13-7-20(17-25)8-14-24/h3-14,26H,15-16,18H2,1-2H3
InChIKeyLOSYVPNNUVUCEL-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.81
Rot. Bonds8

About 4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide

4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide (PubChem CID 44586249) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide
PubChem CID44586249
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide
SMILESCN(C)Cc1ccc(-c2ccc(CCNS(=O)(=O)c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C24H25N3O2S/c1-27(2)18-21-5-11-23(12-6-21)22-9-3-19(4-10-22)15-16-26-30(28,29)24-13-7-20(17-25)8-14-24/h3-14,26H,15-16,18H2,1-2H3
InChIKeyLOSYVPNNUVUCEL-UHFFFAOYSA-N
XLogP3.81
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886136
(1S,2S)-(+)-N-p-Tosyl-1,2-diphenylethylenediamine
CID 6612782
4-[2-[(4-Cyanophenyl)methylamino]ethyl]benzenesulfonamide
CID 168273662
N-benzyl-4-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]benzenesulfonamide
CID 44523667
N-(2-((3-(4-(aminomethyl)phenyl)propyl)(methyl)amino)ethyl)naphthalene-2-sulfonamide
CID 10112313
4-[4-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide
CID 71622674
N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 71720085
3-cyano-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 92135959
5-cyano-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 118521526
N1-(1-Benzyl-4-piperidyl)-4-cyanobenzene-1-sulfonamide
CID 563196
N-{2-[4-(2-cyanoethyl)-1-piperazinyl]-2-phenylethyl}-4-methylbenzenesulfonamide
CID 2867697
4-[2-[(4-Methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718087

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide (CID 44586249) is 4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide is CN(C)Cc1ccc(-c2ccc(CCNS(=O)(=O)c3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of 4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide?
The InChIKey is LOSYVPNNUVUCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-27(2)18-21-5-11-23(12-6-21)22-9-3-19(4-10-22)15-16-26-30(28,29)24-13-7-20(17-25)8-14-24/h3-14,26H,15-16,18H2,1-2H3.
What are the key properties of 4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide?
4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide has a molecular weight of 419.55 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 44586249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).