N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride

C12H20BrClN2O2S — CID 119990005

IUPACN-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C12H19BrN2O2S.ClH/c1-3-12(14,4-2)9-15-18(16,17)11-7-5-6-10(13)8-11;/h5-8,15H,3-4,9,14H2,1-2H3;1H
InChIKeyVZSCNFGXUKQZMH-UHFFFAOYSA-N
MW371.73 g/mol
LogP2.67
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride (PubChem CID 119990005) has the molecular formula C12H20BrClN2O2S and a molecular weight of 371.73 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
PubChem CID119990005
Molecular FormulaC12H20BrClN2O2S
Molecular Weight371.73 g/mol
Exact Mass370.01
IUPAC NameN-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C12H19BrN2O2S.ClH/c1-3-12(14,4-2)9-15-18(16,17)11-7-5-6-10(13)8-11;/h5-8,15H,3-4,9,14H2,1-2H3;1H
InChIKeyVZSCNFGXUKQZMH-UHFFFAOYSA-N
XLogP2.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.73
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
CID 119990108
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide
CID 99627369
3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
CID 84591289
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66180763
N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
CID 115306000
N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119989684
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
CID 114293798
N-(2-amino-2-ethylbutyl)-3-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119990091
N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride
CID 119990180

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride (CID 119990005) is N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride is CCC(N)(CC)CNS(=O)(=O)c1cccc(Br)c1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride?
The InChIKey is VZSCNFGXUKQZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S.ClH/c1-3-12(14,4-2)9-15-18(16,17)11-7-5-6-10(13)8-11;/h5-8,15H,3-4,9,14H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride has a molecular weight of 371.73 g/mol, XLogP of 2.67, 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)-3-bromobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119990005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).