N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide

C12H17F2NO2S — CID 84547716

IUPACN-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2S/c1-3-9(4-2)8-15-18(16,17)12-6-5-10(13)7-11(12)14/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyWYTSURGSIOZRQA-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.68
Rot. Bonds6

About N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide

N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide (PubChem CID 84547716) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
PubChem CID84547716
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC NameN-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2S/c1-3-9(4-2)8-15-18(16,17)12-6-5-10(13)7-11(12)14/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyWYTSURGSIOZRQA-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
CID 5018850
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide
CID 62665959
N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide
CID 66091851
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786
methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
CID 103833610
3-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 81066352
2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
CID 115701461
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 47006077
2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide
CID 105400660
2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide
CID 65113216
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide (CID 84547716) is N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide is CCC(CC)CNS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is WYTSURGSIOZRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-3-9(4-2)8-15-18(16,17)12-6-5-10(13)7-11(12)14/h5-7,9,15H,3-4,8H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide?
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 277.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 84547716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).