(1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene

C17H14O2S — CID 54607021

IUPAC(1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene
SMILESCS(=O)(=O)c1ccc(/C=C2/C=Cc3ccccc32)cc1
InChIInChI=1S/C17H14O2S/c1-20(18,19)16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)15/h2-12H,1H3/b15-12-
InChIKeyXICAFMGQCYYCRA-QINSGFPZSA-N
MW282.36 g/mol
LogP3.66
Rot. Bonds2

About (1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene

(1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene (PubChem CID 54607021) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is (1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene.

Molecular Properties

Compound Name(1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene
PubChem CID54607021
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name(1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene
SMILESCS(=O)(=O)c1ccc(/C=C2/C=Cc3ccccc32)cc1
InChIInChI=1S/C17H14O2S/c1-20(18,19)16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)15/h2-12H,1H3/b15-12-
InChIKeyXICAFMGQCYYCRA-QINSGFPZSA-N
XLogP3.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene?
The IUPAC name of (1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene (CID 54607021) is (1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene.
What is the SMILES notation for (1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene?
The canonical SMILES for (1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene is CS(=O)(=O)c1ccc(/C=C2/C=Cc3ccccc32)cc1.
What is the InChIKey of (1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene?
The InChIKey is XICAFMGQCYYCRA-QINSGFPZSA-N. The full InChI is InChI=1S/C17H14O2S/c1-20(18,19)16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)15/h2-12H,1H3/b15-12-.
What are the key properties of (1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene?
(1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene has a molecular weight of 282.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene is sourced from PubChem (CID 54607021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).