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

C15H11BrFNO3S — CID 53484040

IUPAC(E)-3-(4-bromophenyl)-N-(4-fluorophenyl)sulfonylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11BrFNO3S/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+
InChIKeyYPDZNRQMBPAYMC-XCVCLJGOSA-N
MW384.23 g/mol
LogP3.11
Rot. Bonds4

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

(E)-3-(4-bromophenyl)-N-(4-fluorophenyl)sulfonylprop-2-enamide (PubChem CID 53484040) has the molecular formula C15H11BrFNO3S and a molecular weight of 384.23 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-(4-fluorophenyl)sulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-(4-fluorophenyl)sulfonylprop-2-enamide
PubChem CID53484040
Molecular FormulaC15H11BrFNO3S
Molecular Weight384.23 g/mol
Exact Mass382.96
IUPAC Name(E)-3-(4-bromophenyl)-N-(4-fluorophenyl)sulfonylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11BrFNO3S/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+
InChIKeyYPDZNRQMBPAYMC-XCVCLJGOSA-N
XLogP3.11
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 ≤ 53.11
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-fluorophenyl)sulfonylprop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-(4-fluorophenyl)sulfonylprop-2-enamide (CID 53484040) is (E)-3-(4-bromophenyl)-N-(4-fluorophenyl)sulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-(4-fluorophenyl)sulfonylprop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-(4-fluorophenyl)sulfonylprop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-(4-fluorophenyl)sulfonylprop-2-enamide?
The InChIKey is YPDZNRQMBPAYMC-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H11BrFNO3S/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-fluorophenyl)sulfonylprop-2-enamide?
(E)-3-(4-bromophenyl)-N-(4-fluorophenyl)sulfonylprop-2-enamide has a molecular weight of 384.23 g/mol, XLogP of 3.11, 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-fluorophenyl)sulfonylprop-2-enamide is sourced from PubChem (CID 53484040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).