[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid

C13H10FN3O6S — CID 156508089

IUPAC[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid
SMILESO=C(O)Nc1ccc2c(F)c(N3CC(=O)NS3(=O)=O)c(O)cc2c1
InChIInChI=1S/C13H10FN3O6S/c14-11-8-2-1-7(15-13(20)21)3-6(8)4-9(18)12(11)17-5-10(19)16-24(17,22)23/h1-4,15,18H,5H2,(H,16,19)(H,20,21)
InChIKeyQBFPCXWZDOXWGD-UHFFFAOYSA-N
MW355.30 g/mol
LogP0.96
Rot. Bonds2

About [5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid

[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid (PubChem CID 156508089) has the molecular formula C13H10FN3O6S and a molecular weight of 355.30 g/mol. Its IUPAC name is [5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid
PubChem CID156508089
Molecular FormulaC13H10FN3O6S
Molecular Weight355.30 g/mol
Exact Mass355.03
IUPAC Name[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid
SMILESO=C(O)Nc1ccc2c(F)c(N3CC(=O)NS3(=O)=O)c(O)cc2c1
InChIInChI=1S/C13H10FN3O6S/c14-11-8-2-1-7(15-13(20)21)3-6(8)4-9(18)12(11)17-5-10(19)16-24(17,22)23/h1-4,15,18H,5H2,(H,16,19)(H,20,21)
InChIKeyQBFPCXWZDOXWGD-UHFFFAOYSA-N
XLogP0.96
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid?
The IUPAC name of [5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid (CID 156508089) is [5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid.
What is the SMILES notation for [5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid?
The canonical SMILES for [5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid is O=C(O)Nc1ccc2c(F)c(N3CC(=O)NS3(=O)=O)c(O)cc2c1.
What is the InChIKey of [5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid?
The InChIKey is QBFPCXWZDOXWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O6S/c14-11-8-2-1-7(15-13(20)21)3-6(8)4-9(18)12(11)17-5-10(19)16-24(17,22)23/h1-4,15,18H,5H2,(H,16,19)(H,20,21).
What are the key properties of [5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid?
[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid has a molecular weight of 355.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]carbamic acid is sourced from PubChem (CID 156508089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).