5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C15H13FN2O4S — CID 71188117

IUPAC5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2cc(Cc3ccc(F)cc3)ccc2O)S(=O)(=O)N1
InChIInChI=1S/C15H13FN2O4S/c16-12-4-1-10(2-5-12)7-11-3-6-14(19)13(8-11)18-9-15(20)17-23(18,21)22/h1-6,8,19H,7,9H2,(H,17,20)
InChIKeyIQSNFOJXMSLPFP-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.30
Rot. Bonds3

About 5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 71188117) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is 5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID71188117
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC Name5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2cc(Cc3ccc(F)cc3)ccc2O)S(=O)(=O)N1
InChIInChI=1S/C15H13FN2O4S/c16-12-4-1-10(2-5-12)7-11-3-6-14(19)13(8-11)18-9-15(20)17-23(18,21)22/h1-6,8,19H,7,9H2,(H,17,20)
InChIKeyIQSNFOJXMSLPFP-UHFFFAOYSA-N
XLogP1.30
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 71188117) is 5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2cc(Cc3ccc(F)cc3)ccc2O)S(=O)(=O)N1.
What is the InChIKey of 5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is IQSNFOJXMSLPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c16-12-4-1-10(2-5-12)7-11-3-6-14(19)13(8-11)18-9-15(20)17-23(18,21)22/h1-6,8,19H,7,9H2,(H,17,20).
What are the key properties of 5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 336.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 71188117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).