N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide

C14H24N2O3S — CID 115309909

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(CN)CC(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-11(2)9-14(3,10-15)16-20(17,18)13-7-5-12(19-4)6-8-13/h5-8,11,16H,9-10,15H2,1-4H3
InChIKeyOECKUDGRXUMDES-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.74
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide

N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 115309909) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID115309909
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(CN)CC(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-11(2)9-14(3,10-15)16-20(17,18)13-7-5-12(19-4)6-8-13/h5-8,11,16H,9-10,15H2,1-4H3
InChIKeyOECKUDGRXUMDES-UHFFFAOYSA-N
XLogP1.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 61133016
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-(1-amino-2,4-dimethylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 86814096
5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide
CID 119984979
methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 119985415
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 119975574
dimethyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119985198
3-N-(1-amino-2,4-dimethylpentan-2-yl)benzene-1,3-disulfonamide;hydrochloride
CID 119985204
N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710993
N-(1-bromo-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 114293806
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methoxy-5-nitrobenzenesulfonamide
CID 119985029
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 119985221

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide (CID 115309909) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)(CN)CC(C)C)cc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is OECKUDGRXUMDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11(2)9-14(3,10-15)16-20(17,18)13-7-5-12(19-4)6-8-13/h5-8,11,16H,9-10,15H2,1-4H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 115309909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).