N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide

C22H24N2O2S — CID 23020097

IUPACN-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)c1
InChIInChI=1S/C22H24N2O2S/c1-16-13-17(2)15-20(14-16)27(25,26)24-22(19-11-7-4-8-12-19)21(23)18-9-5-3-6-10-18/h3-15,21-22,24H,23H2,1-2H3
InChIKeyIHGSMBVTJBJICR-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.02
Rot. Bonds6

About N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide

N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide (PubChem CID 23020097) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide
PubChem CID23020097
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)c1
InChIInChI=1S/C22H24N2O2S/c1-16-13-17(2)15-20(14-16)27(25,26)24-22(19-11-7-4-8-12-19)21(23)18-9-5-3-6-10-18/h3-15,21-22,24H,23H2,1-2H3
InChIKeyIHGSMBVTJBJICR-UHFFFAOYSA-N
XLogP4.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide;ruthenium;1,3,5-trimethylbenzene
CID 87738604
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride
CID 71744476
1-N,3-N-bis[(1R,2R)-2-amino-1,2-diphenylethyl]benzene-1,3-disulfonamide
CID 122371745
4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide
CID 89035973
N-(2-amino-1,2-diphenylethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 23070407
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738229
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738343
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738686
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide;1-methyl-4-propan-2-ylbenzene;ruthenium
CID 87738223
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide (CID 23020097) is N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)c1.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide?
The InChIKey is IHGSMBVTJBJICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-16-13-17(2)15-20(14-16)27(25,26)24-22(19-11-7-4-8-12-19)21(23)18-9-5-3-6-10-18/h3-15,21-22,24H,23H2,1-2H3.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide?
N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 23020097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).