N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide

C14H23NO2S — CID 84512808

IUPACN-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H23NO2S/c1-5-13(6-2)10-15-18(16,17)14-8-7-11(3)12(4)9-14/h7-9,13,15H,5-6,10H2,1-4H3
InChIKeyPVBLRBOQBZONRG-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.02
Rot. Bonds6

About N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide

N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 84512808) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
PubChem CID84512808
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H23NO2S/c1-5-13(6-2)10-15-18(16,17)14-8-7-11(3)12(4)9-14/h7-9,13,15H,5-6,10H2,1-4H3
InChIKeyPVBLRBOQBZONRG-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115613367
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
4-N-(2-ethylbutyl)benzene-1,4-disulfonamide
CID 115613409
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
N-(4-bromo-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
CID 114295021
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106169276
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
methyl 2-chloro-3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 103493569
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110279875
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 115613428

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide (CID 84512808) is N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide is CCC(CC)CNS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is PVBLRBOQBZONRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-13(6-2)10-15-18(16,17)14-8-7-11(3)12(4)9-14/h7-9,13,15H,5-6,10H2,1-4H3.
What are the key properties of N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide?
N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 84512808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).