N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide

C17H21NO2S — CID 35767176

IUPACN-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H21NO2S/c1-4-18(13-16-8-6-5-7-9-16)21(19,20)17-11-10-14(2)15(3)12-17/h5-12H,4,13H2,1-3H3
InChIKeyWJLZXGHXSIZQRO-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.51
Rot. Bonds5

About N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide

N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide (PubChem CID 35767176) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
PubChem CID35767176
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H21NO2S/c1-4-18(13-16-8-6-5-7-9-16)21(19,20)17-11-10-14(2)15(3)12-17/h5-12H,4,13H2,1-3H3
InChIKeyWJLZXGHXSIZQRO-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 110759810
N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 120584192
N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735198
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178749
N-benzyl-3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934314
2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 18286925
4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
CID 43258809
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide (CID 35767176) is N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide?
The InChIKey is WJLZXGHXSIZQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-4-18(13-16-8-6-5-7-9-16)21(19,20)17-11-10-14(2)15(3)12-17/h5-12H,4,13H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide?
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 35767176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).