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

C12H21ClN2O2S — CID 119988451

IUPACN-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)NCC(C)(C)N)c1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-9-5-6-10(2)11(7-9)17(15,16)14-8-12(3,4)13;/h5-7,14H,8,13H2,1-4H3;1H
InChIKeyUVWUXZCDUAMYPZ-UHFFFAOYSA-N
MW292.83 g/mol
LogP1.74
Rot. Bonds4

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

N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119988451) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119988451
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC NameN-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)NCC(C)(C)N)c1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-9-5-6-10(2)11(7-9)17(15,16)14-8-12(3,4)13;/h5-7,14H,8,13H2,1-4H3;1H
InChIKeyUVWUXZCDUAMYPZ-UHFFFAOYSA-N
XLogP1.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 51.74
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-(3-chloro-2,2-dimethylpropyl)-2,5-dimethylbenzenesulfonamide
CID 113295115
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide
CID 4790001
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815
ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 120711506
N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119987988
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119975791
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 43598135
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride (CID 119988451) is N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride is Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)N)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is UVWUXZCDUAMYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-9-5-6-10(2)11(7-9)17(15,16)14-8-12(3,4)13;/h5-7,14H,8,13H2,1-4H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 1.74, 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)-2,5-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119988451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).