N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen

C11H19NO2S — CID 142348370

IUPACN-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
SMILESCCNS(=O)(=O)c1c(C)cc(C)cc1C.[H][H]
InChIInChI=1S/C11H17NO2S.H2/c1-5-12-15(13,14)11-9(3)6-8(2)7-10(11)4;/h6-7,12H,5H2,1-4H3;1H
InChIKeyDAMZCUGJBISPNV-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.16
Rot. Bonds3

About N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen

N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen (PubChem CID 142348370) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
PubChem CID142348370
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
SMILESCCNS(=O)(=O)c1c(C)cc(C)cc1C.[H][H]
InChIInChI=1S/C11H17NO2S.H2/c1-5-12-15(13,14)11-9(3)6-8(2)7-10(11)4;/h6-7,12H,5H2,1-4H3;1H
InChIKeyDAMZCUGJBISPNV-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 65112843
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
CID 156858995
CID 156858995
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
CID 5144200
2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720191
2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064916
N-ethyl-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzamide
CID 55905207
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113065655
N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide
CID 8778480
N-(2-amino-3-hydroxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 64540008

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen?
The IUPAC name of N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen (CID 142348370) is N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen.
What is the SMILES notation for N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen?
The canonical SMILES for N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen is CCNS(=O)(=O)c1c(C)cc(C)cc1C.[H][H].
What is the InChIKey of N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen?
The InChIKey is DAMZCUGJBISPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.H2/c1-5-12-15(13,14)11-9(3)6-8(2)7-10(11)4;/h6-7,12H,5H2,1-4H3;1H.
What are the key properties of N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen?
N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen has a molecular weight of 229.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 142348370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).