3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide

C21H20N2O3S — CID 91589407

IUPAC3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20N2O3S/c22-21(24)19-11-7-10-18(14-19)16-23(15-17-8-3-1-4-9-17)27(25,26)20-12-5-2-6-13-20/h1-14H,15-16H2,(H2,22,24)
InChIKeyZOKWYNWHDLHBBQ-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.18
Rot. Bonds7

About 3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide

3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide (PubChem CID 91589407) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide
PubChem CID91589407
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20N2O3S/c22-21(24)19-11-7-10-18(14-19)16-23(15-17-8-3-1-4-9-17)27(25,26)20-12-5-2-6-13-20/h1-14H,15-16H2,(H2,22,24)
InChIKeyZOKWYNWHDLHBBQ-UHFFFAOYSA-N
XLogP3.18
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
CID 59826387
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
(2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate
CID 7681594
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
3-benzylbenzamide;hydrochloride
CID 159409318
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 68619894
4-[[benzenesulfonyl-[(3-bromo-4-carboxyphenyl)methyl]amino]methyl]-2-bromobenzoic acid
CID 11599568
3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 113265345
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696

Frequently Asked Questions

What is the IUPAC name of 3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide?
The IUPAC name of 3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide (CID 91589407) is 3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide is NC(=O)c1cccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide?
The InChIKey is ZOKWYNWHDLHBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c22-21(24)19-11-7-10-18(14-19)16-23(15-17-8-3-1-4-9-17)27(25,26)20-12-5-2-6-13-20/h1-14H,15-16H2,(H2,22,24).
What are the key properties of 3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide?
3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide is sourced from PubChem (CID 91589407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).