N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide

C17H29NO2S — CID 5144200

IUPACN-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H29NO2S/c1-6-8-9-16(7-2)12-18-21(19,20)17-14(4)10-13(3)11-15(17)5/h10-11,16,18H,6-9,12H2,1-5H3
InChIKeyQJMOHANEQXQQLC-UHFFFAOYSA-N
MW311.49 g/mol
LogP4.11
Rot. Bonds8

About N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide

N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 5144200) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID5144200
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC NameN-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H29NO2S/c1-6-8-9-16(7-2)12-18-21(19,20)17-14(4)10-13(3)11-15(17)5/h10-11,16,18H,6-9,12H2,1-5H3
InChIKeyQJMOHANEQXQQLC-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide
CID 19681669
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 107819725
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
5-(aminomethyl)-N-(2-ethylhexyl)-2-methylbenzenesulfonamide
CID 107818750
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide
CID 8778480
4-(2-ethylhexylsulfamoyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 107819918
N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
CID 19681648
N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
CID 142348370
N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681666
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide (CID 5144200) is N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is QJMOHANEQXQQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-6-8-9-16(7-2)12-18-21(19,20)17-14(4)10-13(3)11-15(17)5/h10-11,16,18H,6-9,12H2,1-5H3.
What are the key properties of N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide?
N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 311.49 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 5144200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).