2-bromo-N-(2-ethylbutyl)benzenesulfonamide

C12H18BrNO2S — CID 84548044

IUPAC2-bromo-N-(2-ethylbutyl)benzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H18BrNO2S/c1-3-10(4-2)9-14-17(15,16)12-8-6-5-7-11(12)13/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyUJCXCOAJLCDLMM-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.16
Rot. Bonds6

About 2-bromo-N-(2-ethylbutyl)benzenesulfonamide

2-bromo-N-(2-ethylbutyl)benzenesulfonamide (PubChem CID 84548044) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 2-bromo-N-(2-ethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethylbutyl)benzenesulfonamide
PubChem CID84548044
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name2-bromo-N-(2-ethylbutyl)benzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H18BrNO2S/c1-3-10(4-2)9-14-17(15,16)12-8-6-5-7-11(12)13/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyUJCXCOAJLCDLMM-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
methyl 2-(2-ethylbutylsulfamoyl)benzoate
CID 115753533
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide
CID 115613434
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2-bromo-N-methylbenzenesulfonamide
CID 850141
2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064542
2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365251
2-bromo-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 71781699
4-N-(2-ethylbutyl)benzene-1,4-disulfonamide
CID 115613409

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethylbutyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-ethylbutyl)benzenesulfonamide (CID 84548044) is 2-bromo-N-(2-ethylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-ethylbutyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-ethylbutyl)benzenesulfonamide is CCC(CC)CNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-ethylbutyl)benzenesulfonamide?
The InChIKey is UJCXCOAJLCDLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-3-10(4-2)9-14-17(15,16)12-8-6-5-7-11(12)13/h5-8,10,14H,3-4,9H2,1-2H3.
What are the key properties of 2-bromo-N-(2-ethylbutyl)benzenesulfonamide?
2-bromo-N-(2-ethylbutyl)benzenesulfonamide has a molecular weight of 320.25 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethylbutyl)benzenesulfonamide is sourced from PubChem (CID 84548044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).