N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride

C12H20BrClN2O3S — CID 119988082

IUPACN-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C12H19BrN2O3S.ClH/c1-8-5-10(18-4)11(6-9(8)13)19(16,17)15-7-12(2,3)14;/h5-6,15H,7,14H2,1-4H3;1H
InChIKeyBDEZSNZJDAHSLX-UHFFFAOYSA-N
MW387.73 g/mol
LogP2.20
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 119988082) has the molecular formula C12H20BrClN2O3S and a molecular weight of 387.73 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
PubChem CID119988082
Molecular FormulaC12H20BrClN2O3S
Molecular Weight387.73 g/mol
Exact Mass386.01
IUPAC NameN-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C12H19BrN2O3S.ClH/c1-8-5-10(18-4)11(6-9(8)13)19(16,17)15-7-12(2,3)14;/h5-6,15H,7,14H2,1-4H3;1H
InChIKeyBDEZSNZJDAHSLX-UHFFFAOYSA-N
XLogP2.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.73
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide
CID 9267366
N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119987988
3-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071454
N-(4-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 120583356
5-bromo-2-methoxy-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715849
N-(3-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119972422
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methoxy-4-methylbenzenesulfonamide
CID 27262155
3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274875
N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 120711475
N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride
CID 119988224

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride (CID 119988082) is N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride is COc1cc(C)c(Br)cc1S(=O)(=O)NCC(C)(C)N.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is BDEZSNZJDAHSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3S.ClH/c1-8-5-10(18-4)11(6-9(8)13)19(16,17)15-7-12(2,3)14;/h5-6,15H,7,14H2,1-4H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 387.73 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119988082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).