N-benzyl-3-ethyl-N-methylbenzenesulfonamide

C16H19NO2S — CID 90124269

IUPACN-benzyl-3-ethyl-N-methylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C16H19NO2S/c1-3-14-10-7-11-16(12-14)20(18,19)17(2)13-15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3
InChIKeyZKISSUVXEJTGMM-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.07
Rot. Bonds5

About N-benzyl-3-ethyl-N-methylbenzenesulfonamide

N-benzyl-3-ethyl-N-methylbenzenesulfonamide (PubChem CID 90124269) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-benzyl-3-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-ethyl-N-methylbenzenesulfonamide
PubChem CID90124269
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-benzyl-3-ethyl-N-methylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C16H19NO2S/c1-3-14-10-7-11-16(12-14)20(18,19)17(2)13-15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3
InChIKeyZKISSUVXEJTGMM-UHFFFAOYSA-N
XLogP3.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-ethyl-N-methylbenzenesulfonamide
CID 71155043
3-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzenesulfonamide
CID 2551092
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide
CID 54331699
N-benzyl-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzenesulfonamide
CID 59826329
N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
CID 59826387
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
CID 96566230
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-3-ethyl-N-methylbenzenesulfonamide (CID 90124269) is N-benzyl-3-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-3-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-3-ethyl-N-methylbenzenesulfonamide is CCc1cccc(S(=O)(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-ethyl-N-methylbenzenesulfonamide?
The InChIKey is ZKISSUVXEJTGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-14-10-7-11-16(12-14)20(18,19)17(2)13-15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3.
What are the key properties of N-benzyl-3-ethyl-N-methylbenzenesulfonamide?
N-benzyl-3-ethyl-N-methylbenzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 90124269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).