(Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one

C22H16Cl2O3S — CID 155812790

IUPAC(Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one
SMILESCc1ccc(S(=O)(=O)/C(=C\c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2O3S/c1-15-2-12-20(13-3-15)28(26,27)21(14-16-4-8-18(23)9-5-16)22(25)17-6-10-19(24)11-7-17/h2-14H,1H3/b21-14-
InChIKeyVULZGRXWUSSOSH-STZFKDTASA-N
MW431.34 g/mol
LogP6.00
Rot. Bonds5

About (Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one

(Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one (PubChem CID 155812790) has the molecular formula C22H16Cl2O3S and a molecular weight of 431.34 g/mol. Its IUPAC name is (Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one
PubChem CID155812790
Molecular FormulaC22H16Cl2O3S
Molecular Weight431.34 g/mol
Exact Mass430.02
IUPAC Name(Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one
SMILESCc1ccc(S(=O)(=O)/C(=C\c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2O3S/c1-15-2-12-20(13-3-15)28(26,27)21(14-16-4-8-18(23)9-5-16)22(25)17-6-10-19(24)11-7-17/h2-14H,1H3/b21-14-
InChIKeyVULZGRXWUSSOSH-STZFKDTASA-N
XLogP6.00
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 56.00
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

(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
(E)-1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-thiophen-2-ylprop-2-en-1-one
CID 52945335
(E)-1-(4-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one
CID 52949112
(Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one
CID 102132918
1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
CID 138974047
1-[2-(4-chlorophenyl)-1-isocyanoethenyl]sulfonyl-4-methylbenzene
CID 88773968
(E)-2-(4-bromophenyl)sulfonyl-1-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 52946673
(E)-1-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 52947074
2-[(4-chlorophenyl)methylidene]-1-(4-methylphenyl)heptan-1-one
CID 162351581
(E)-3-(4-bromo-3-hydroxyphenyl)-1-(4-bromophenyl)-2-(4-bromophenyl)sulfonylprop-2-en-1-one
CID 52949500
(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 6014545
(E)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 2059163

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one?
The IUPAC name of (Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one (CID 155812790) is (Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one.
What is the SMILES notation for (Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one?
The canonical SMILES for (Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one is Cc1ccc(S(=O)(=O)/C(=C\c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one?
The InChIKey is VULZGRXWUSSOSH-STZFKDTASA-N. The full InChI is InChI=1S/C22H16Cl2O3S/c1-15-2-12-20(13-3-15)28(26,27)21(14-16-4-8-18(23)9-5-16)22(25)17-6-10-19(24)11-7-17/h2-14H,1H3/b21-14-.
What are the key properties of (Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one?
(Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one has a molecular weight of 431.34 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one is sourced from PubChem (CID 155812790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).