5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide

C10H13BrN2O3S — CID 81414818

IUPAC5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(N)c(Br)cc1OC
InChIInChI=1S/C10H13BrN2O3S/c1-3-4-13-17(14,15)10-6-8(12)7(11)5-9(10)16-2/h3,5-6,13H,1,4,12H2,2H3
InChIKeyMXGFRHFYKLUCOO-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.50
Rot. Bonds5

About 5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide

5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 81414818) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID81414818
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(N)c(Br)cc1OC
InChIInChI=1S/C10H13BrN2O3S/c1-3-4-13-17(14,15)10-6-8(12)7(11)5-9(10)16-2/h3,5-6,13H,1,4,12H2,2H3
InChIKeyMXGFRHFYKLUCOO-UHFFFAOYSA-N
XLogP1.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565
5-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 81413927
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
5-amino-4-bromo-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460098
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 81414077
5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 81397762
5-amino-4-bromo-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 81414481
5-amino-4-bromo-2-methoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941189
5-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 81414494
5-amino-4-bromo-2-methoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 81397573
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
5-amino-4-bromo-N-butan-2-yl-2-methoxybenzenesulfonamide
CID 81414235

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide (CID 81414818) is 5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cc(N)c(Br)cc1OC.
What is the InChIKey of 5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is MXGFRHFYKLUCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-3-4-13-17(14,15)10-6-8(12)7(11)5-9(10)16-2/h3,5-6,13H,1,4,12H2,2H3.
What are the key properties of 5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide?
5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 321.20 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 81414818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).