2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one

C18H17NO5S2 — CID 15388916

IUPAC2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESC=C(N1C(=O)C(Cc2ccccc2)CS1(=O)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17NO5S2/c1-14(26(23,24)17-10-6-3-7-11-17)19-18(20)16(13-25(19,21)22)12-15-8-4-2-5-9-15/h2-11,16H,1,12-13H2
InChIKeyDPHMKGVYIQSXHZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.96
Rot. Bonds5

About 2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one

2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 15388916) has the molecular formula C18H17NO5S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID15388916
Molecular FormulaC18H17NO5S2
Molecular Weight391.47 g/mol
Exact Mass391.05
IUPAC Name2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESC=C(N1C(=O)C(Cc2ccccc2)CS1(=O)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17NO5S2/c1-14(26(23,24)17-10-6-3-7-11-17)19-18(20)16(13-25(19,21)22)12-15-8-4-2-5-9-15/h2-11,16H,1,12-13H2
InChIKeyDPHMKGVYIQSXHZ-UHFFFAOYSA-N
XLogP1.96
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one (CID 15388916) is 2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one is C=C(N1C(=O)C(Cc2ccccc2)CS1(=O)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is DPHMKGVYIQSXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S2/c1-14(26(23,24)17-10-6-3-7-11-17)19-18(20)16(13-25(19,21)22)12-15-8-4-2-5-9-15/h2-11,16H,1,12-13H2.
What are the key properties of 2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one?
2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 391.47 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)ethenyl]-4-benzyl-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 15388916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).