5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide

C13H22N2O3S — CID 103460090

IUPAC5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cc(N)ccc1OC
InChIInChI=1S/C13H22N2O3S/c1-5-13(2,3)9-15-19(16,17)12-8-10(14)6-7-11(12)18-4/h6-8,15H,5,9,14H2,1-4H3
InChIKeyBBYSRJBUPZKHFM-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.99
Rot. Bonds6

About 5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide

5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide (PubChem CID 103460090) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
PubChem CID103460090
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cc(N)ccc1OC
InChIInChI=1S/C13H22N2O3S/c1-5-13(2,3)9-15-19(16,17)12-8-10(14)6-7-11(12)18-4/h6-8,15H,5,9,14H2,1-4H3
InChIKeyBBYSRJBUPZKHFM-UHFFFAOYSA-N
XLogP1.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.99
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

5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29033942
5-amino-4-bromo-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460098
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453
2-amino-N-(2,2-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 103460076
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
N-(3-hydroxy-2,2-dimethylpropyl)-2,5-dimethoxybenzenesulfonamide
CID 3771736
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 106034891
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide (CID 103460090) is 5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide is CCC(C)(C)CNS(=O)(=O)c1cc(N)ccc1OC.
What is the InChIKey of 5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide?
The InChIKey is BBYSRJBUPZKHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-13(2,3)9-15-19(16,17)12-8-10(14)6-7-11(12)18-4/h6-8,15H,5,9,14H2,1-4H3.
What are the key properties of 5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide?
5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 103460090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).