4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline

C11H16BrNO2S — CID 81292858

IUPAC4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline
SMILESCCc1cc(Br)ccc1NCCS(C)(=O)=O
InChIInChI=1S/C11H16BrNO2S/c1-3-9-8-10(12)4-5-11(9)13-6-7-16(2,14)15/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyIGKCQJAYUOQZFD-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.47
Rot. Bonds5

About 4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline

4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline (PubChem CID 81292858) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline
PubChem CID81292858
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline
SMILESCCc1cc(Br)ccc1NCCS(C)(=O)=O
InChIInChI=1S/C11H16BrNO2S/c1-3-9-8-10(12)4-5-11(9)13-6-7-16(2,14)15/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyIGKCQJAYUOQZFD-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(2-methylsulfonylethyl)aniline
CID 60916324
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
4-bromo-N-butyl-2-ethylaniline
CID 81291753
4-bromo-2-ethyl-N-heptylaniline
CID 81292359
4-bromo-2-(2-methylsulfonylethylamino)benzoic acid
CID 114907175
N-(4-bromo-2-ethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525227
4-bromo-2-ethyl-N-(2-methylpropyl)aniline
CID 81292281
4-bromo-2-ethyl-N-prop-2-ynylaniline
CID 80979330
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
4-(4-bromo-2-ethylanilino)-2,2-dimethylbutanenitrile
CID 81292133
N-(4-bromo-2-ethylphenyl)-2-(propylamino)ethanesulfonamide
CID 106073420
4-bromo-N-(3-methylsulfonylpropyl)-2-(trifluoromethoxy)aniline
CID 103193082

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline?
The IUPAC name of 4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline (CID 81292858) is 4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline.
What is the SMILES notation for 4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline?
The canonical SMILES for 4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline is CCc1cc(Br)ccc1NCCS(C)(=O)=O.
What is the InChIKey of 4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline?
The InChIKey is IGKCQJAYUOQZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-3-9-8-10(12)4-5-11(9)13-6-7-16(2,14)15/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline?
4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline has a molecular weight of 306.23 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline is sourced from PubChem (CID 81292858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).