2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide

C13H22N2O3S — CID 104859338

IUPAC2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
SMILESCOCCC(C)(C)CNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H22N2O3S/c1-13(2,8-9-18-3)10-15-19(16,17)12-7-5-4-6-11(12)14/h4-7,15H,8-10,14H2,1-3H3
InChIKeyGUFFWKULBDZBGB-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.61
Rot. Bonds7

About 2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide

2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide (PubChem CID 104859338) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
PubChem CID104859338
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
SMILESCOCCC(C)(C)CNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H22N2O3S/c1-13(2,8-9-18-3)10-15-19(16,17)12-7-5-4-6-11(12)14/h4-7,15H,8-10,14H2,1-3H3
InChIKeyGUFFWKULBDZBGB-UHFFFAOYSA-N
XLogP1.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide
CID 104624494
4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 113434225
2-amino-4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide
CID 106249724
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzenesulfonamide
CID 106140106
methyl 3-[(2-aminophenyl)sulfonylamino]propanoate
CID 43665938
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
N-(4-methoxy-2,2-dimethylbutyl)methanesulfonamide
CID 104624458
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide
CID 106249745
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide (CID 104859338) is 2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide is COCCC(C)(C)CNS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide?
The InChIKey is GUFFWKULBDZBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-13(2,8-9-18-3)10-15-19(16,17)12-7-5-4-6-11(12)14/h4-7,15H,8-10,14H2,1-3H3.
What are the key properties of 2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide?
2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 104859338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).