3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide

C13H22N2O4S — CID 114940446

IUPAC3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H22N2O4S/c1-5-19-13(2,3)9-15-20(16,17)10-6-7-12(18-4)11(14)8-10/h6-8,15H,5,9,14H2,1-4H3
InChIKeySKQNHOHMDSGQOB-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.37
Rot. Bonds7

About 3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide

3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide (PubChem CID 114940446) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
PubChem CID114940446
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H22N2O4S/c1-5-19-13(2,3)9-15-20(16,17)10-6-7-12(18-4)11(14)8-10/h6-8,15H,5,9,14H2,1-4H3
InChIKeySKQNHOHMDSGQOB-UHFFFAOYSA-N
XLogP1.37
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758508
3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 106086687
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
3-N-(2-ethoxy-2-methylpropyl)benzene-1,3-disulfonamide
CID 114943745
3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 107843502
2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 43310349
methyl 3-[(3-amino-4-methoxyphenyl)sulfonylamino]propanoate
CID 43665935
3-amino-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 115597641
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
N-(2-ethoxy-2-methylpropyl)-2-hydrazinylpyridine-4-sulfonamide
CID 114943123
N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106086792
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide (CID 114940446) is 3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide is CCOC(C)(C)CNS(=O)(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
The InChIKey is SKQNHOHMDSGQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-5-19-13(2,3)9-15-20(16,17)10-6-7-12(18-4)11(14)8-10/h6-8,15H,5,9,14H2,1-4H3.
What are the key properties of 3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 114940446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).