N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide

C21H21ClN2O2S — CID 59537526

IUPACN-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H21ClN2O2S/c22-19-13-11-16(12-14-19)15-27(25,26)24-21(18-9-5-2-6-10-18)20(23)17-7-3-1-4-8-17/h1-14,20-21,24H,15,23H2
InChIKeyUXOUNFVXDQHXIV-UHFFFAOYSA-N
MW400.93 g/mol
LogP4.20
Rot. Bonds7

About N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide

N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide (PubChem CID 59537526) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
PubChem CID59537526
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC NameN-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
SMILESNC(c1ccccc1)C(NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H21ClN2O2S/c22-19-13-11-16(12-14-19)15-27(25,26)24-21(18-9-5-2-6-10-18)20(23)17-7-3-1-4-8-17/h1-14,20-21,24H,15,23H2
InChIKeyUXOUNFVXDQHXIV-UHFFFAOYSA-N
XLogP4.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1,2-diphenylethyl)-1-(4-phenylphenyl)methanesulfonamide
CID 59537666
N-(2-amino-1,2-diphenylethyl)-1-(3-chlorophenyl)methanesulfonamide
CID 59537632
N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide
CID 59537367
N-(2-amino-1,2-diphenylethyl)-1-naphthalen-2-ylmethanesulfonamide
CID 59537514
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide
CID 59537598
N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537440
N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide
CID 59537325
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide
CID 59537380
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2-(4-phenylphenyl)ethanesulfonamide
CID 102080788
1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
CID 92646316

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide (CID 59537526) is N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide is NC(c1ccccc1)C(NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide?
The InChIKey is UXOUNFVXDQHXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c22-19-13-11-16(12-14-19)15-27(25,26)24-21(18-9-5-2-6-10-18)20(23)17-7-3-1-4-8-17/h1-14,20-21,24H,15,23H2.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide?
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide has a molecular weight of 400.93 g/mol, XLogP of 4.20, 7 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)-1-(4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 59537526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).