N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride

C12H20BrClN2O2S — CID 119987988

IUPACN-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC(C)(C)N)c(C)cc1Br.Cl
InChIInChI=1S/C12H19BrN2O2S.ClH/c1-8-6-11(9(2)5-10(8)13)18(16,17)15-7-12(3,4)14;/h5-6,15H,7,14H2,1-4H3;1H
InChIKeyCTEGPSAHQVFMOI-UHFFFAOYSA-N
MW371.73 g/mol
LogP2.50
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119987988) has the molecular formula C12H20BrClN2O2S and a molecular weight of 371.73 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119987988
Molecular FormulaC12H20BrClN2O2S
Molecular Weight371.73 g/mol
Exact Mass370.01
IUPAC NameN-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC(C)(C)N)c(C)cc1Br.Cl
InChIInChI=1S/C12H19BrN2O2S.ClH/c1-8-6-11(9(2)5-10(8)13)18(16,17)15-7-12(3,4)14;/h5-6,15H,7,14H2,1-4H3;1H
InChIKeyCTEGPSAHQVFMOI-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.73
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 119988082
N-(2-amino-2-methylpropyl)-5-bromo-2-methylbenzenesulfonamide
CID 115303519
N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
CID 115303618
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119988009
4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 25252496
N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
CID 119960307
4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 91669643
N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride
CID 119988224
5-amino-4-bromo-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940420
N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
CID 115306000
ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 120711506

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride (CID 119987988) is N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NCC(C)(C)N)c(C)cc1Br.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is CTEGPSAHQVFMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S.ClH/c1-8-6-11(9(2)5-10(8)13)18(16,17)15-7-12(3,4)14;/h5-6,15H,7,14H2,1-4H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 371.73 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119987988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).