N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide

C13H21BrN2O2S — CID 115306000

IUPACN-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1cc(Br)ccc1C
InChIInChI=1S/C13H21BrN2O2S/c1-4-13(15,5-2)9-16-19(17,18)12-8-11(14)7-6-10(12)3/h6-8,16H,4-5,9,15H2,1-3H3
InChIKeyUAZBUOWIFBFCLC-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.55
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide

N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide (PubChem CID 115306000) has the molecular formula C13H21BrN2O2S and a molecular weight of 349.29 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
PubChem CID115306000
Molecular FormulaC13H21BrN2O2S
Molecular Weight349.29 g/mol
Exact Mass348.05
IUPAC NameN-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1cc(Br)ccc1C
InChIInChI=1S/C13H21BrN2O2S/c1-4-13(15,5-2)9-16-19(17,18)12-8-11(14)7-6-10(12)3/h6-8,16H,4-5,9,15H2,1-3H3
InChIKeyUAZBUOWIFBFCLC-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-5-bromo-2-methylbenzenesulfonamide
CID 115303519
N-(2-amino-2-ethylbutyl)-2-methyl-5-nitrobenzenesulfonamide
CID 115305944
N-(2-amino-2-ethylbutyl)-2-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119989671
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147355
N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119990005
5-bromo-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 62045684
5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 103606955
2-[(5-bromo-2-methylphenyl)sulfonylamino]acetic acid
CID 43240842
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide (CID 115306000) is N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide is CCC(N)(CC)CNS(=O)(=O)c1cc(Br)ccc1C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide?
The InChIKey is UAZBUOWIFBFCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S/c1-4-13(15,5-2)9-16-19(17,18)12-8-11(14)7-6-10(12)3/h6-8,16H,4-5,9,15H2,1-3H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide?
N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide has a molecular weight of 349.29 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide is sourced from PubChem (CID 115306000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).