5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide

C13H22N2O5S — CID 102945974

IUPAC5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
SMILESCOCCCCNS(=O)(=O)c1cc(N)c(OC)cc1OC
InChIInChI=1S/C13H22N2O5S/c1-18-7-5-4-6-15-21(16,17)13-8-10(14)11(19-2)9-12(13)20-3/h8-9,15H,4-7,14H2,1-3H3
InChIKeyHOCBBIHZUSUMMZ-UHFFFAOYSA-N
MW318.39 g/mol
LogP0.99
Rot. Bonds9

About 5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide

5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide (PubChem CID 102945974) has the molecular formula C13H22N2O5S and a molecular weight of 318.39 g/mol. Its IUPAC name is 5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
PubChem CID102945974
Molecular FormulaC13H22N2O5S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
SMILESCOCCCCNS(=O)(=O)c1cc(N)c(OC)cc1OC
InChIInChI=1S/C13H22N2O5S/c1-18-7-5-4-6-15-21(16,17)13-8-10(14)11(19-2)9-12(13)20-3/h8-9,15H,4-7,14H2,1-3H3
InChIKeyHOCBBIHZUSUMMZ-UHFFFAOYSA-N
XLogP0.99
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43153258
5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102945869
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide
CID 102946020
5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110757529
5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180466
3-amino-4-(4-methoxybutylsulfamoyl)benzoic acid
CID 81470981
5-amino-4-bromo-2-methoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941189
2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 110300192
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide
CID 106165551
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide
CID 106054066
5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide
CID 102946119

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide (CID 102945974) is 5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide is COCCCCNS(=O)(=O)c1cc(N)c(OC)cc1OC.
What is the InChIKey of 5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide?
The InChIKey is HOCBBIHZUSUMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-18-7-5-4-6-15-21(16,17)13-8-10(14)11(19-2)9-12(13)20-3/h8-9,15H,4-7,14H2,1-3H3.
What are the key properties of 5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide?
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide is sourced from PubChem (CID 102945974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).