3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

C12H20N2O4S — CID 104758508

IUPAC3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)OC)cc1N
InChIInChI=1S/C12H20N2O4S/c1-12(2,18-4)8-14-19(15,16)9-5-6-11(17-3)10(13)7-9/h5-7,14H,8,13H2,1-4H3
InChIKeyDVIBUZWAZGZKIC-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.98
Rot. Bonds6

About 3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 104758508) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID104758508
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)OC)cc1N
InChIInChI=1S/C12H20N2O4S/c1-12(2,18-4)8-14-19(15,16)9-5-6-11(17-3)10(13)7-9/h5-7,14H,8,13H2,1-4H3
InChIKeyDVIBUZWAZGZKIC-UHFFFAOYSA-N
XLogP0.98
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.98
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-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 114940446
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
methyl 3-[(3-amino-4-methoxyphenyl)sulfonylamino]propanoate
CID 43665935
2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 43310349
3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 107843502
3-amino-N-[(3-bromophenyl)methyl]-4-methoxybenzenesulfonamide
CID 61400840
3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 106086687
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
3-amino-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 115597641
3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
CID 113450286
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (CID 104758508) is 3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)(C)OC)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is DVIBUZWAZGZKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-12(2,18-4)8-14-19(15,16)9-5-6-11(17-3)10(13)7-9/h5-7,14H,8,13H2,1-4H3.
What are the key properties of 3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 104758508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).