N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide

C13H18F3NO2S — CID 115613428

IUPACN-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2S/c1-3-10(4-2)9-17-20(18,19)12-7-5-11(6-8-12)13(14,15)16/h5-8,10,17H,3-4,9H2,1-2H3
InChIKeyPKQBAABDAIMQON-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.42
Rot. Bonds6

About N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide

N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 115613428) has the molecular formula C13H18F3NO2S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID115613428
Molecular FormulaC13H18F3NO2S
Molecular Weight309.35 g/mol
Exact Mass309.10
IUPAC NameN-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2S/c1-3-10(4-2)9-17-20(18,19)12-7-5-11(6-8-12)13(14,15)16/h5-8,10,17H,3-4,9H2,1-2H3
InChIKeyPKQBAABDAIMQON-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminobutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 55229724
4-N-(2-ethylbutyl)benzene-1,4-disulfonamide
CID 115613409
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 142170744
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 107396859
N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
CID 84512808
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90581968
N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
CID 90534845
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598910
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598155

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide (CID 115613428) is N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide is CCC(CC)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PKQBAABDAIMQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2S/c1-3-10(4-2)9-17-20(18,19)12-7-5-11(6-8-12)13(14,15)16/h5-8,10,17H,3-4,9H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 115613428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).