5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide

C13H20N2O4S — CID 106180466

IUPAC5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCC=C(C)C)cc1N
InChIInChI=1S/C13H20N2O4S/c1-9(2)5-6-15-20(16,17)13-7-10(14)11(18-3)8-12(13)19-4/h5,7-8,15H,6,14H2,1-4H3
InChIKeyJPPVZJGAJOYBBK-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.53
Rot. Bonds6

About 5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide

5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide (PubChem CID 106180466) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
PubChem CID106180466
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCC=C(C)C)cc1N
InChIInChI=1S/C13H20N2O4S/c1-9(2)5-6-15-20(16,17)13-7-10(14)11(18-3)8-12(13)19-4/h5,7-8,15H,6,14H2,1-4H3
InChIKeyJPPVZJGAJOYBBK-UHFFFAOYSA-N
XLogP1.53
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102945869
5-amino-2-fluoro-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180759
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide
CID 102946020
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
CID 102945974
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide
CID 106165551
5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide
CID 102946119
5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 102945870
5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 81414818
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
CID 106180456
5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 114154840
5-amino-2,4-dimethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392075
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide (CID 106180466) is 5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide is COc1cc(OC)c(S(=O)(=O)NCC=C(C)C)cc1N.
What is the InChIKey of 5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide?
The InChIKey is JPPVZJGAJOYBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9(2)5-6-15-20(16,17)13-7-10(14)11(18-3)8-12(13)19-4/h5,7-8,15H,6,14H2,1-4H3.
What are the key properties of 5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide?
5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide is sourced from PubChem (CID 106180466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).