2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide

C21H15F2NO3S — CID 21099433

IUPAC2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide
SMILESNC(=O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2F)cc1
InChIInChI=1S/C21H15F2NO3S/c22-16-10-9-15(19(23)13-16)8-5-14-6-11-17(12-7-14)28(26,27)20-4-2-1-3-18(20)21(24)25/h1-13H,(H2,24,25)/b8-5+
InChIKeyCJGYRCCRCWSGRT-VMPITWQZSA-N
MW399.42 g/mol
LogP4.07
Rot. Bonds5

About 2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide

2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide (PubChem CID 21099433) has the molecular formula C21H15F2NO3S and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide.

Molecular Properties

Compound Name2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide
PubChem CID21099433
Molecular FormulaC21H15F2NO3S
Molecular Weight399.42 g/mol
Exact Mass399.07
IUPAC Name2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide
SMILESNC(=O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2F)cc1
InChIInChI=1S/C21H15F2NO3S/c22-16-10-9-15(19(23)13-16)8-5-14-6-11-17(12-7-14)28(26,27)20-4-2-1-3-18(20)21(24)25/h1-13H,(H2,24,25)/b8-5+
InChIKeyCJGYRCCRCWSGRT-VMPITWQZSA-N
XLogP4.07
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide?
The IUPAC name of 2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide (CID 21099433) is 2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide.
What is the SMILES notation for 2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide?
The canonical SMILES for 2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide is NC(=O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2F)cc1.
What is the InChIKey of 2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide?
The InChIKey is CJGYRCCRCWSGRT-VMPITWQZSA-N. The full InChI is InChI=1S/C21H15F2NO3S/c22-16-10-9-15(19(23)13-16)8-5-14-6-11-17(12-7-14)28(26,27)20-4-2-1-3-18(20)21(24)25/h1-13H,(H2,24,25)/b8-5+.
What are the key properties of 2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide?
2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide has a molecular weight of 399.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide is sourced from PubChem (CID 21099433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).