5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C23H20N2O6S2 — CID 68839041

IUPAC5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2ccc(C=CS(=O)(=O)c3ccccc3)cc2OCc2ccccc2)S(=O)(=O)N1
InChIInChI=1S/C23H20N2O6S2/c26-23-16-25(33(29,30)24-23)21-12-11-18(13-14-32(27,28)20-9-5-2-6-10-20)15-22(21)31-17-19-7-3-1-4-8-19/h1-15H,16-17H2,(H,24,26)
InChIKeyGGNWNBOPQPQFMO-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.89
Rot. Bonds7

About 5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 68839041) has the molecular formula C23H20N2O6S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID68839041
Molecular FormulaC23H20N2O6S2
Molecular Weight484.56 g/mol
Exact Mass484.08
IUPAC Name5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2ccc(C=CS(=O)(=O)c3ccccc3)cc2OCc2ccccc2)S(=O)(=O)N1
InChIInChI=1S/C23H20N2O6S2/c26-23-16-25(33(29,30)24-23)21-12-11-18(13-14-32(27,28)20-9-5-2-6-10-20)15-22(21)31-17-19-7-3-1-4-8-19/h1-15H,16-17H2,(H,24,26)
InChIKeyGGNWNBOPQPQFMO-UHFFFAOYSA-N
XLogP2.89
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 68839041) is 5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2ccc(C=CS(=O)(=O)c3ccccc3)cc2OCc2ccccc2)S(=O)(=O)N1.
What is the InChIKey of 5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is GGNWNBOPQPQFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6S2/c26-23-16-25(33(29,30)24-23)21-12-11-18(13-14-32(27,28)20-9-5-2-6-10-20)15-22(21)31-17-19-7-3-1-4-8-19/h1-15H,16-17H2,(H,24,26).
What are the key properties of 5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 484.56 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 68839041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).