(Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one

C32H24Cl2O4S — CID 15358569

IUPAC(Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C(/C(=O)c2ccc(Cl)cc2)S(=O)(=O)/C(=C/c2ccc(C)cc2)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C32H24Cl2O4S/c1-21-3-7-23(8-4-21)19-29(31(35)25-11-15-27(33)16-12-25)39(37,38)30(20-24-9-5-22(2)6-10-24)32(36)26-13-17-28(34)18-14-26/h3-20H,1-2H3/b29-19-,30-20+
InChIKeyMDTMCSIERMFKLY-GOLAWLNDSA-N
MW575.51 g/mol
LogP8.17
Rot. Bonds8

About (Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one

(Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one (PubChem CID 15358569) has the molecular formula C32H24Cl2O4S and a molecular weight of 575.51 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one
PubChem CID15358569
Molecular FormulaC32H24Cl2O4S
Molecular Weight575.51 g/mol
Exact Mass574.08
IUPAC Name(Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C(/C(=O)c2ccc(Cl)cc2)S(=O)(=O)/C(=C/c2ccc(C)cc2)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C32H24Cl2O4S/c1-21-3-7-23(8-4-21)19-29(31(35)25-11-15-27(33)16-12-25)39(37,38)30(20-24-9-5-22(2)6-10-24)32(36)26-13-17-28(34)18-14-26/h3-20H,1-2H3/b29-19-,30-20+
InChIKeyMDTMCSIERMFKLY-GOLAWLNDSA-N
XLogP8.17
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.51
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one (CID 15358569) is (Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one is Cc1ccc(/C=C(/C(=O)c2ccc(Cl)cc2)S(=O)(=O)/C(=C/c2ccc(C)cc2)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is MDTMCSIERMFKLY-GOLAWLNDSA-N. The full InChI is InChI=1S/C32H24Cl2O4S/c1-21-3-7-23(8-4-21)19-29(31(35)25-11-15-27(33)16-12-25)39(37,38)30(20-24-9-5-22(2)6-10-24)32(36)26-13-17-28(34)18-14-26/h3-20H,1-2H3/b29-19-,30-20+.
What are the key properties of (Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one?
(Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 575.51 g/mol, XLogP of 8.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfonyl-3-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 15358569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).