N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide

C23H26N2O2S — CID 59826387

IUPACN,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
SMILESCN(C)Cc1cccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C23H26N2O2S/c1-24(2)17-22-14-9-15-23(16-22)28(26,27)25(18-20-10-5-3-6-11-20)19-21-12-7-4-8-13-21/h3-16H,17-19H2,1-2H3
InChIKeyOZAHXGKQCMWOLP-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.14
Rot. Bonds8

About N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide

N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide (PubChem CID 59826387) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
PubChem CID59826387
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
SMILESCN(C)Cc1cccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C23H26N2O2S/c1-24(2)17-22-14-9-15-23(16-22)28(26,27)25(18-20-10-5-3-6-11-20)19-21-12-7-4-8-13-21/h3-16H,17-19H2,1-2H3
InChIKeyOZAHXGKQCMWOLP-UHFFFAOYSA-N
XLogP4.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 175361860
3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide
CID 91589407
3-amino-N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 61127015
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 51258343
N,N-dibenzyl-3-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
CID 59826052
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide?
The IUPAC name of N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide (CID 59826387) is N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide is CN(C)Cc1cccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide?
The InChIKey is OZAHXGKQCMWOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-24(2)17-22-14-9-15-23(16-22)28(26,27)25(18-20-10-5-3-6-11-20)19-21-12-7-4-8-13-21/h3-16H,17-19H2,1-2H3.
What are the key properties of N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide?
N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide has a molecular weight of 394.54 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 59826387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).