N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline

C15H25NO2S — CID 63838875

IUPACN-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline
SMILESCCC(CC)C(C)Nc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C15H25NO2S/c1-5-13(6-2)12(4)16-14-8-10-15(11-9-14)19(17,18)7-3/h8-13,16H,5-7H2,1-4H3
InChIKeyLRGVGLMNUJAOLG-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.72
Rot. Bonds7

About N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline

N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline (PubChem CID 63838875) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline
PubChem CID63838875
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline
SMILESCCC(CC)C(C)Nc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C15H25NO2S/c1-5-13(6-2)12(4)16-14-8-10-15(11-9-14)19(17,18)7-3/h8-13,16H,5-7H2,1-4H3
InChIKeyLRGVGLMNUJAOLG-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylsulfonylanilino)propan-1-ol
CID 43500287
4-ethylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630538
4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355
(2S)-2-(4-ethylsulfonylanilino)-3-methylbutan-1-ol
CID 79246558
N-(3-ethylpentan-2-yl)-4-(methylamino)benzenesulfonamide
CID 63836615
(2R)-2-(4-ethylsulfonylanilino)-3-methylbutanoic acid
CID 94161069
N-(3-methylpentan-2-yl)-4-methylsulfonylaniline
CID 43201165
4-ethylsulfonyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43689688
4-ethylsulfonyl-N-(1-methylsulfinylpropan-2-yl)aniline
CID 113486521
4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340
4-[1-(4-ethylsulfonylanilino)ethyl]phenol
CID 43689686
N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
CID 63837919

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline?
The IUPAC name of N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline (CID 63838875) is N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline?
The canonical SMILES for N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline is CCC(CC)C(C)Nc1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline?
The InChIKey is LRGVGLMNUJAOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-13(6-2)12(4)16-14-8-10-15(11-9-14)19(17,18)7-3/h8-13,16H,5-7H2,1-4H3.
What are the key properties of N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline?
N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline has a molecular weight of 283.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline is sourced from PubChem (CID 63838875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).