2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide

C23H27N3O4S2 — CID 59537578

IUPAC2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CS(=O)(=O)NC(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C23H27N3O4S2/c1-26(2)32(29,30)21-16-10-9-15-20(21)17-31(27,28)25-23(19-13-7-4-8-14-19)22(24)18-11-5-3-6-12-18/h3-16,22-23,25H,17,24H2,1-2H3
InChIKeyXXQOOELFJSGNDN-UHFFFAOYSA-N
MW473.62 g/mol
LogP2.80
Rot. Bonds9

About 2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide

2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 59537578) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID59537578
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC Name2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CS(=O)(=O)NC(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C23H27N3O4S2/c1-26(2)32(29,30)21-16-10-9-15-20(21)17-31(27,28)25-23(19-13-7-4-8-14-19)22(24)18-11-5-3-6-12-18/h3-16,22-23,25H,17,24H2,1-2H3
InChIKeyXXQOOELFJSGNDN-UHFFFAOYSA-N
XLogP2.80
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide
CID 59537380
N-(2-amino-1,2-diphenylethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 59537384
N-(2-amino-1,2-diphenylethyl)-1-(4-phenylphenyl)methanesulfonamide
CID 59537666
N-(2-amino-1,2-diphenylethyl)-1-(3,5-diphenylphenyl)methanesulfonamide
CID 59537367
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
CID 59537526
N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide
CID 59537696
N-(2-amino-1,2-diphenylethyl)-1-(2,6-diphenylphenyl)methanesulfonamide
CID 59537660
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(methoxymethyl)-2,4,6-trimethylphenyl]methanesulfonamide
CID 59537628
N-(2-amino-1,2-diphenylethyl)-1-naphthalen-2-ylmethanesulfonamide
CID 59537514
N-(2-amino-1,2-diphenylethyl)-1-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 59537297
N-(2-amino-1,2-diphenylethyl)-1-(3-chlorophenyl)methanesulfonamide
CID 59537632
N-(2-amino-1,2-diphenylethyl)-1-(2,4-dinitrophenyl)methanesulfonamide
CID 59537450

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide (CID 59537578) is 2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1CS(=O)(=O)NC(c1ccccc1)C(N)c1ccccc1.
What is the InChIKey of 2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is XXQOOELFJSGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-26(2)32(29,30)21-16-10-9-15-20(21)17-31(27,28)25-23(19-13-7-4-8-14-19)22(24)18-11-5-3-6-12-18/h3-16,22-23,25H,17,24H2,1-2H3.
What are the key properties of 2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide?
2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 473.62 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,2-diphenylethyl)sulfamoylmethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 59537578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).