2,6-dibromo-N-(2-propylsulfonylethyl)aniline

C11H15Br2NO2S — CID 107599018

IUPAC2,6-dibromo-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1c(Br)cccc1Br
InChIInChI=1S/C11H15Br2NO2S/c1-2-7-17(15,16)8-6-14-11-9(12)4-3-5-10(11)13/h3-5,14H,2,6-8H2,1H3
InChIKeyAJPFPLFMNWLKBW-UHFFFAOYSA-N
MW385.12 g/mol
LogP3.45
Rot. Bonds6

About 2,6-dibromo-N-(2-propylsulfonylethyl)aniline

2,6-dibromo-N-(2-propylsulfonylethyl)aniline (PubChem CID 107599018) has the molecular formula C11H15Br2NO2S and a molecular weight of 385.12 g/mol. Its IUPAC name is 2,6-dibromo-N-(2-propylsulfonylethyl)aniline.

Molecular Properties

Compound Name2,6-dibromo-N-(2-propylsulfonylethyl)aniline
PubChem CID107599018
Molecular FormulaC11H15Br2NO2S
Molecular Weight385.12 g/mol
Exact Mass382.92
IUPAC Name2,6-dibromo-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1c(Br)cccc1Br
InChIInChI=1S/C11H15Br2NO2S/c1-2-7-17(15,16)8-6-14-11-9(12)4-3-5-10(11)13/h3-5,14H,2,6-8H2,1H3
InChIKeyAJPFPLFMNWLKBW-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.12
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,5,6-pentafluoro-N-(2-propylsulfonylethyl)aniline
CID 106724196
2,6-dibromo-N-decylaniline
CID 107599083
4-bromo-3,5-dimethyl-N-(2-propylsulfonylethyl)aniline
CID 107573637
2-bromo-6-(2-ethylsulfonylethylamino)benzoic acid
CID 114112444
4-chloro-N-(2-propylsulfonylethyl)aniline
CID 106513312
2-(chloromethyl)-N-(2-propylsulfonylethyl)aniline
CID 106730989
3-bromo-2-(propylsulfonylmethyl)aniline
CID 43444822
2-bromo-N-[2-(3-methylbutylsulfonyl)ethyl]aniline
CID 107757762
N-(2,6-dibromophenyl)-3-(propylamino)propane-1-sulfonamide
CID 106088845
1-bromo-2-propylsulfonylbenzene
CID 54596100
3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline
CID 106723957
2-(2,6-dibromoanilino)-N-propylacetamide
CID 107598911

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(2-propylsulfonylethyl)aniline?
The IUPAC name of 2,6-dibromo-N-(2-propylsulfonylethyl)aniline (CID 107599018) is 2,6-dibromo-N-(2-propylsulfonylethyl)aniline.
What is the SMILES notation for 2,6-dibromo-N-(2-propylsulfonylethyl)aniline?
The canonical SMILES for 2,6-dibromo-N-(2-propylsulfonylethyl)aniline is CCCS(=O)(=O)CCNc1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromo-N-(2-propylsulfonylethyl)aniline?
The InChIKey is AJPFPLFMNWLKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2S/c1-2-7-17(15,16)8-6-14-11-9(12)4-3-5-10(11)13/h3-5,14H,2,6-8H2,1H3.
What are the key properties of 2,6-dibromo-N-(2-propylsulfonylethyl)aniline?
2,6-dibromo-N-(2-propylsulfonylethyl)aniline has a molecular weight of 385.12 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(2-propylsulfonylethyl)aniline is sourced from PubChem (CID 107599018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).