2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide

C15H11BrFNO3S — CID 15603395

IUPAC2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)/C=C/c1ccccc1)c1ccc(F)cc1Br
InChIInChI=1S/C15H11BrFNO3S/c16-14-10-12(17)6-7-13(14)15(19)18-22(20,21)9-8-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b9-8+
InChIKeyBQXQTGUMFUBFPA-CMDGGOBGSA-N
MW384.23 g/mol
LogP3.32
Rot. Bonds4

About 2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide

2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide (PubChem CID 15603395) has the molecular formula C15H11BrFNO3S and a molecular weight of 384.23 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide
PubChem CID15603395
Molecular FormulaC15H11BrFNO3S
Molecular Weight384.23 g/mol
Exact Mass382.96
IUPAC Name2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)/C=C/c1ccccc1)c1ccc(F)cc1Br
InChIInChI=1S/C15H11BrFNO3S/c16-14-10-12(17)6-7-13(14)15(19)18-22(20,21)9-8-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b9-8+
InChIKeyBQXQTGUMFUBFPA-CMDGGOBGSA-N
XLogP3.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide (CID 15603395) is 2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide is O=C(NS(=O)(=O)/C=C/c1ccccc1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide?
The InChIKey is BQXQTGUMFUBFPA-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11BrFNO3S/c16-14-10-12(17)6-7-13(14)15(19)18-22(20,21)9-8-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b9-8+.
What are the key properties of 2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide?
2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide has a molecular weight of 384.23 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[(E)-2-phenylethenyl]sulfonylbenzamide is sourced from PubChem (CID 15603395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).