N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide

C20H19ClN2O2S — CID 23443554

IUPACN-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H19ClN2O2S/c21-17-11-13-18(14-12-17)26(24,25)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15/h1-14,19-20,23H,22H2
InChIKeyXJPRQBJPIQYZTG-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.06
Rot. Bonds6

About N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide

N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide (PubChem CID 23443554) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
PubChem CID23443554
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC NameN-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H19ClN2O2S/c21-17-11-13-18(14-12-17)26(24,25)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15/h1-14,19-20,23H,22H2
InChIKeyXJPRQBJPIQYZTG-UHFFFAOYSA-N
XLogP4.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide 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

4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide
CID 89035973
4-[[(1S,2S)-2-amino-1,2-diphenylethyl]sulfamoyl]benzenesulfonic acid
CID 58915462
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
1-N,3-N-bis[(1R,2R)-2-amino-1,2-diphenylethyl]benzene-1,3-disulfonamide
CID 122371745
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
CID 59537526
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
CID 87738093
N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide
CID 23020097
sodium 2-[[(1S,2S)-2-amino-1,2-diphenylethyl]sulfamoyl]benzenesulfonate
CID 58915463
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738229
N-(2-amino-1,2-diphenylethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 23070407

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide (CID 23443554) is N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide is NC(c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide?
The InChIKey is XJPRQBJPIQYZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-17-11-13-18(14-12-17)26(24,25)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15/h1-14,19-20,23H,22H2.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide?
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide has a molecular weight of 386.90 g/mol, XLogP of 4.06, 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)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 23443554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).