(E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide

C15H11Br2NO3S — CID 56678591

IUPAC(E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2NO3S/c16-12-4-1-11(2-5-12)3-10-15(19)18-22(20,21)14-8-6-13(17)7-9-14/h1-10H,(H,18,19)/b10-3+
InChIKeyFEGPGYGMGFMUJG-XCVCLJGOSA-N
MW445.13 g/mol
LogP3.73
Rot. Bonds4

About (E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide

(E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide (PubChem CID 56678591) has the molecular formula C15H11Br2NO3S and a molecular weight of 445.13 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide
PubChem CID56678591
Molecular FormulaC15H11Br2NO3S
Molecular Weight445.13 g/mol
Exact Mass442.88
IUPAC Name(E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2NO3S/c16-12-4-1-11(2-5-12)3-10-15(19)18-22(20,21)14-8-6-13(17)7-9-14/h1-10H,(H,18,19)/b10-3+
InChIKeyFEGPGYGMGFMUJG-XCVCLJGOSA-N
XLogP3.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.13
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide (CID 56678591) is (E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide?
The InChIKey is FEGPGYGMGFMUJG-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H11Br2NO3S/c16-12-4-1-11(2-5-12)3-10-15(19)18-22(20,21)14-8-6-13(17)7-9-14/h1-10H,(H,18,19)/b10-3+.
What are the key properties of (E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide?
(E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide has a molecular weight of 445.13 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-(4-bromophenyl)sulfonylprop-2-enamide is sourced from PubChem (CID 56678591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).