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

C13H22N2O4S — CID 65049698

IUPAC5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1cc(N)ccc1OC)C(C)C
InChIInChI=1S/C13H22N2O4S/c1-9(2)11(8-18-3)15-20(16,17)13-7-10(14)5-6-12(13)19-4/h5-7,9,11,15H,8,14H2,1-4H3
InChIKeyLEVYOIVZNIOKTF-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.23
Rot. Bonds7

About 5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide

5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 65049698) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID65049698
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1cc(N)ccc1OC)C(C)C
InChIInChI=1S/C13H22N2O4S/c1-9(2)11(8-18-3)15-20(16,17)13-7-10(14)5-6-12(13)19-4/h5-7,9,11,15H,8,14H2,1-4H3
InChIKeyLEVYOIVZNIOKTF-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

4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65050020
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
CID 61476398
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
5-amino-N-[1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 43535594
2-methoxy-N-(1-methoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 6461003
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65048629
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide (CID 65049698) is 5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide is COCC(NS(=O)(=O)c1cc(N)ccc1OC)C(C)C.
What is the InChIKey of 5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is LEVYOIVZNIOKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-9(2)11(8-18-3)15-20(16,17)13-7-10(14)5-6-12(13)19-4/h5-7,9,11,15H,8,14H2,1-4H3.
What are the key properties of 5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
5-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 5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 65049698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).