N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide

C21H21ClN2O3S — CID 70148428

IUPACN-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@](Cl)(c2ccccc2)[C@H](N)c2ccccc2)cc1
InChIInChI=1S/C21H21ClN2O3S/c1-27-18-12-14-19(15-13-18)28(25,26)24-21(22,17-10-6-3-7-11-17)20(23)16-8-4-2-5-9-16/h2-15,20,24H,23H2,1H3/t20-,21-/m1/s1
InChIKeyOGAXOWZSPIRSAG-NHCUHLMSSA-N
MW416.93 g/mol
LogP3.77
Rot. Bonds7

About N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide

N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide (PubChem CID 70148428) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide
PubChem CID70148428
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC NameN-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@](Cl)(c2ccccc2)[C@H](N)c2ccccc2)cc1
InChIInChI=1S/C21H21ClN2O3S/c1-27-18-12-14-19(15-13-18)28(25,26)24-21(22,17-10-6-3-7-11-17)20(23)16-8-4-2-5-9-16/h2-15,20,24H,23H2,1H3/t20-,21-/m1/s1
InChIKeyOGAXOWZSPIRSAG-NHCUHLMSSA-N
XLogP3.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide 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-chloro-1,2-diphenylethyl]-4-methylbenzenesulfonamide;ruthenium;1,3,5-trimethylbenzene
CID 161117073
N-[(1R,2S)-2-amino-1-chloro-1,2-diphenylethyl]-4-methylbenzenesulfonamide;1-methyl-4-propan-2-ylbenzene;ruthenium
CID 87839974
N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 102049077
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
N-(2-chloro-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 45101977
2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 18373848
(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 11187177
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide
CID 102410740

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide (CID 70148428) is N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@](Cl)(c2ccccc2)[C@H](N)c2ccccc2)cc1.
What is the InChIKey of N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide?
The InChIKey is OGAXOWZSPIRSAG-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-27-18-12-14-19(15-13-18)28(25,26)24-21(22,17-10-6-3-7-11-17)20(23)16-8-4-2-5-9-16/h2-15,20,24H,23H2,1H3/t20-,21-/m1/s1.
What are the key properties of N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide?
N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide has a molecular weight of 416.93 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 70148428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).