4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid

C15H11FN2O4S — CID 69149022

IUPAC4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid
SMILESO=C(O)C1c2sc(-c3ccc(F)cc3)cc2C2CN1C(=O)N2O
InChIInChI=1S/C15H11FN2O4S/c16-8-3-1-7(2-4-8)11-5-9-10-6-17(15(21)18(10)22)12(14(19)20)13(9)23-11/h1-5,10,12,22H,6H2,(H,19,20)
InChIKeyBPBKBTIITWEVNY-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.86
Rot. Bonds2

About 4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid

4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid (PubChem CID 69149022) has the molecular formula C15H11FN2O4S and a molecular weight of 334.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid
PubChem CID69149022
Molecular FormulaC15H11FN2O4S
Molecular Weight334.33 g/mol
Exact Mass334.04
IUPAC Name4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid
SMILESO=C(O)C1c2sc(-c3ccc(F)cc3)cc2C2CN1C(=O)N2O
InChIInChI=1S/C15H11FN2O4S/c16-8-3-1-7(2-4-8)11-5-9-10-6-17(15(21)18(10)22)12(14(19)20)13(9)23-11/h1-5,10,12,22H,6H2,(H,19,20)
InChIKeyBPBKBTIITWEVNY-UHFFFAOYSA-N
XLogP2.86
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze 4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid (CID 69149022) is 4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid is O=C(O)C1c2sc(-c3ccc(F)cc3)cc2C2CN1C(=O)N2O.
What is the InChIKey of 4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid?
The InChIKey is BPBKBTIITWEVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4S/c16-8-3-1-7(2-4-8)11-5-9-10-6-17(15(21)18(10)22)12(14(19)20)13(9)23-11/h1-5,10,12,22H,6H2,(H,19,20).
What are the key properties of 4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid?
4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid has a molecular weight of 334.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-10-hydroxy-9-oxo-5-thia-8,10-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid is sourced from PubChem (CID 69149022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).