1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one

C15H10BrClO3S — CID 2825859

IUPAC1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one
SMILESO=C(C=CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H10BrClO3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-10H
InChIKeyZXLOKUVSXPQRSB-UHFFFAOYSA-N
MW385.67 g/mol
LogP4.27
Rot. Bonds4

About 1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one

1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one (PubChem CID 2825859) has the molecular formula C15H10BrClO3S and a molecular weight of 385.67 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one
PubChem CID2825859
Molecular FormulaC15H10BrClO3S
Molecular Weight385.67 g/mol
Exact Mass383.92
IUPAC Name1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one
SMILESO=C(C=CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H10BrClO3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-10H
InChIKeyZXLOKUVSXPQRSB-UHFFFAOYSA-N
XLogP4.27
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)sulfonyl-1-(4-chlorophenyl)prop-2-en-1-one
CID 2825861
(E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one
CID 13280987
3-(4-chlorophenyl)sulfonyl-1-phenylprop-2-en-1-one
CID 2825843
sodium 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzoate
CID 102342332
(E)-1-phenyl-3-[4-(trifluoromethyl)phenyl]sulfonylprop-2-en-1-one
CID 175599092
1-chloro-4-[(E)-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]sulfanylethenyl]sulfonylbenzene
CID 11430477
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
3-[(5-bromo-2-pyridinyl)amino]-1-(4-chlorophenyl)prop-2-en-1-one
CID 871054
3-[2-(4-bromophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one
CID 4967141
1-bromo-4-chlorobenzene
CID 7806
(E)-2-(4-bromophenyl)sulfonyl-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 52946673
(E)-3-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5346121

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one (CID 2825859) is 1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one is O=C(C=CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one?
The InChIKey is ZXLOKUVSXPQRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClO3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-10H.
What are the key properties of 1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one?
1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one has a molecular weight of 385.67 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one is sourced from PubChem (CID 2825859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).