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

C10H11BrFNO3S — CID 84599198

IUPAC4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(F)c(Br)cc1OC
InChIInChI=1S/C10H11BrFNO3S/c1-3-4-13-17(14,15)10-6-8(12)7(11)5-9(10)16-2/h3,5-6,13H,1,4H2,2H3
InChIKeyUOGJCBDUDMUUCV-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.06
Rot. Bonds5

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

4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 84599198) has the molecular formula C10H11BrFNO3S and a molecular weight of 324.17 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID84599198
Molecular FormulaC10H11BrFNO3S
Molecular Weight324.17 g/mol
Exact Mass322.96
IUPAC Name4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(F)c(Br)cc1OC
InChIInChI=1S/C10H11BrFNO3S/c1-3-4-13-17(14,15)10-6-8(12)7(11)5-9(10)16-2/h3,5-6,13H,1,4H2,2H3
InChIKeyUOGJCBDUDMUUCV-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide (CID 84599198) is 4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cc(F)c(Br)cc1OC.
What is the InChIKey of 4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is UOGJCBDUDMUUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO3S/c1-3-4-13-17(14,15)10-6-8(12)7(11)5-9(10)16-2/h3,5-6,13H,1,4H2,2H3.
What are the key properties of 4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide?
4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 324.17 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-methoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 84599198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).