5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

C15H13FN2O4S — CID 91157492

IUPAC5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESO=S1(=O)NC(O)=CN1c1ccc(Cc2ccccc2F)cc1O
InChIInChI=1S/C15H13FN2O4S/c16-12-4-2-1-3-11(12)7-10-5-6-13(14(19)8-10)18-9-15(20)17-23(18,21)22/h1-6,8-9,17,19-20H,7H2
InChIKeyUIFYXNUVIKZVRI-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.13
Rot. Bonds3

About 5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (PubChem CID 91157492) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is 5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
PubChem CID91157492
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC Name5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESO=S1(=O)NC(O)=CN1c1ccc(Cc2ccccc2F)cc1O
InChIInChI=1S/C15H13FN2O4S/c16-12-4-2-1-3-11(12)7-10-5-6-13(14(19)8-10)18-9-15(20)17-23(18,21)22/h1-6,8-9,17,19-20H,7H2
InChIKeyUIFYXNUVIKZVRI-UHFFFAOYSA-N
XLogP2.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (CID 91157492) is 5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is O=S1(=O)NC(O)=CN1c1ccc(Cc2ccccc2F)cc1O.
What is the InChIKey of 5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The InChIKey is UIFYXNUVIKZVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c16-12-4-2-1-3-11(12)7-10-5-6-13(14(19)8-10)18-9-15(20)17-23(18,21)22/h1-6,8-9,17,19-20H,7H2.
What are the key properties of 5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol has a molecular weight of 336.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-fluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 91157492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).