N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C17H22N2O2S — CID 54184847

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H22N2O2S/c1-18(2)13-14-19(15-16-9-5-3-6-10-16)22(20,21)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChIKeyKNQOLVRHDQZUBF-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.44
Rot. Bonds7

About N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide

N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 54184847) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID54184847
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H22N2O2S/c1-18(2)13-14-19(15-16-9-5-3-6-10-16)22(20,21)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChIKeyKNQOLVRHDQZUBF-UHFFFAOYSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid
CID 113224421
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
CID 59826387
N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 55903709
N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 51258343
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide
CID 91136182
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411
2-[2-[benzenesulfonyl(benzyl)amino]ethoxy]acetic acid
CID 154080670

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 54184847) is N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is KNQOLVRHDQZUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-18(2)13-14-19(15-16-9-5-3-6-10-16)22(20,21)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 54184847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).