4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide

C13H22N2O4S — CID 65050020

IUPAC4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1ccc(N)cc1OC)C(C)C
InChIInChI=1S/C13H22N2O4S/c1-9(2)11(8-18-3)15-20(16,17)13-6-5-10(14)7-12(13)19-4/h5-7,9,11,15H,8,14H2,1-4H3
InChIKeyDOAZKGDAATWWLA-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.23
Rot. Bonds7

About 4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide

4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 65050020) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID65050020
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1ccc(N)cc1OC)C(C)C
InChIInChI=1S/C13H22N2O4S/c1-9(2)11(8-18-3)15-20(16,17)13-6-5-10(14)7-12(13)19-4/h5-7,9,11,15H,8,14H2,1-4H3
InChIKeyDOAZKGDAATWWLA-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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

5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65049698
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
CID 61476398
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466272
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide (CID 65050020) is 4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide is COCC(NS(=O)(=O)c1ccc(N)cc1OC)C(C)C.
What is the InChIKey of 4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is DOAZKGDAATWWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-9(2)11(8-18-3)15-20(16,17)13-6-5-10(14)7-12(13)19-4/h5-7,9,11,15H,8,14H2,1-4H3.
What are the key properties of 4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 65050020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).