N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride

C13H23ClN2O2S — CID 119988328

IUPACN-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCC(C)c1ccc(S(=O)(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-10(2)11-5-7-12(8-6-11)18(16,17)15-9-13(3,4)14;/h5-8,10,15H,9,14H2,1-4H3;1H
InChIKeyVQVCNMKINZBKJU-UHFFFAOYSA-N
MW306.86 g/mol
LogP2.25
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 119988328) has the molecular formula C13H23ClN2O2S and a molecular weight of 306.86 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID119988328
Molecular FormulaC13H23ClN2O2S
Molecular Weight306.86 g/mol
Exact Mass306.12
IUPAC NameN-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCC(C)c1ccc(S(=O)(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-10(2)11-5-7-12(8-6-11)18(16,17)15-9-13(3,4)14;/h5-8,10,15H,9,14H2,1-4H3;1H
InChIKeyVQVCNMKINZBKJU-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid
CID 75496479
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90501130
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide
CID 90600039
N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 119988012
N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide
CID 90599639
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride (CID 119988328) is N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride is CC(C)c1ccc(S(=O)(=O)NCC(C)(C)N)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is VQVCNMKINZBKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S.ClH/c1-10(2)11-5-7-12(8-6-11)18(16,17)15-9-13(3,4)14;/h5-8,10,15H,9,14H2,1-4H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 2.25, 5 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-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119988328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).