N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride

C13H23ClN2O2S — CID 84591010

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-11(2)9-13(3,10-14)15-18(16,17)12-7-5-4-6-8-12;/h4-8,11,15H,9-10,14H2,1-3H3;1H
InChIKeyUAFXXDPDNOVFKN-UHFFFAOYSA-N
MW306.86 g/mol
LogP2.15
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride (PubChem CID 84591010) has the molecular formula C13H23ClN2O2S and a molecular weight of 306.86 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
PubChem CID84591010
Molecular FormulaC13H23ClN2O2S
Molecular Weight306.86 g/mol
Exact Mass306.12
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-11(2)9-13(3,10-14)15-18(16,17)12-7-5-4-6-8-12;/h4-8,11,15H,9-10,14H2,1-3H3;1H
InChIKeyUAFXXDPDNOVFKN-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-amino-2,4-dimethylpentan-2-yl)benzene-1,3-disulfonamide;hydrochloride
CID 119985204
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 115309909
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
CID 119985372
N-(1-amino-2,4-dimethylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 86814096
3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide
CID 119984985
N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide
CID 115309921
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 119985196
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119985312
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119985163
dimethyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119985198
methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 119985415

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride (CID 84591010) is N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride is CC(C)CC(C)(CN)NS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride?
The InChIKey is UAFXXDPDNOVFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S.ClH/c1-11(2)9-13(3,10-14)15-18(16,17)12-7-5-4-6-8-12;/h4-8,11,15H,9-10,14H2,1-3H3;1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 84591010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).