N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride

C12H20BrClN2O3S — CID 119975663

IUPACN-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NC(C)(C)CN)cc1Br.Cl
InChIInChI=1S/C12H19BrN2O3S.ClH/c1-4-18-11-6-5-9(7-10(11)13)19(16,17)15-12(2,3)8-14;/h5-7,15H,4,8,14H2,1-3H3;1H
InChIKeyIIMASEUZVJNYDL-UHFFFAOYSA-N
MW387.73 g/mol
LogP2.29
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride (PubChem CID 119975663) has the molecular formula C12H20BrClN2O3S and a molecular weight of 387.73 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride
PubChem CID119975663
Molecular FormulaC12H20BrClN2O3S
Molecular Weight387.73 g/mol
Exact Mass386.01
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NC(C)(C)CN)cc1Br.Cl
InChIInChI=1S/C12H19BrN2O3S.ClH/c1-4-18-11-6-5-9(7-10(11)13)19(16,17)15-12(2,3)8-14;/h5-7,15H,4,8,14H2,1-3H3;1H
InChIKeyIIMASEUZVJNYDL-UHFFFAOYSA-N
XLogP2.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.73
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide
CID 119975780
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975578
3-bromo-N-[(2S)-2-cyanobutan-2-yl]-4-ethoxybenzenesulfonamide
CID 97243604
3-bromo-4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973197
3-(aminomethyl)-4-ethoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331682
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673
4-ethoxy-3-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031601
N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 63194359
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120709208

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride (CID 119975663) is N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride is CCOc1ccc(S(=O)(=O)NC(C)(C)CN)cc1Br.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride?
The InChIKey is IIMASEUZVJNYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3S.ClH/c1-4-18-11-6-5-9(7-10(11)13)19(16,17)15-12(2,3)8-14;/h5-7,15H,4,8,14H2,1-3H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride has a molecular weight of 387.73 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-ethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119975663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).