(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid

C16H10FNO3S — CID 46371423

IUPAC(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
SMILESO=C1Nc2cc(C(=O)O)ccc2S/C1=C\c1ccccc1F
InChIInChI=1S/C16H10FNO3S/c17-11-4-2-1-3-9(11)8-14-15(19)18-12-7-10(16(20)21)5-6-13(12)22-14/h1-8H,(H,18,19)(H,20,21)/b14-8-
InChIKeySVOIULCCDDUKPR-ZSOIEALJSA-N
MW315.32 g/mol
LogP3.61
Rot. Bonds2

About (2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid

(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (PubChem CID 46371423) has the molecular formula C16H10FNO3S and a molecular weight of 315.32 g/mol. Its IUPAC name is (2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid.

Molecular Properties

Compound Name(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
PubChem CID46371423
Molecular FormulaC16H10FNO3S
Molecular Weight315.32 g/mol
Exact Mass315.04
IUPAC Name(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
SMILESO=C1Nc2cc(C(=O)O)ccc2S/C1=C\c1ccccc1F
InChIInChI=1S/C16H10FNO3S/c17-11-4-2-1-3-9(11)8-14-15(19)18-12-7-10(16(20)21)5-6-13(12)22-14/h1-8H,(H,18,19)(H,20,21)/b14-8-
InChIKeySVOIULCCDDUKPR-ZSOIEALJSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid?
The IUPAC name of (2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (CID 46371423) is (2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid.
What is the SMILES notation for (2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid?
The canonical SMILES for (2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid is O=C1Nc2cc(C(=O)O)ccc2S/C1=C\c1ccccc1F.
What is the InChIKey of (2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid?
The InChIKey is SVOIULCCDDUKPR-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H10FNO3S/c17-11-4-2-1-3-9(11)8-14-15(19)18-12-7-10(16(20)21)5-6-13(12)22-14/h1-8H,(H,18,19)(H,20,21)/b14-8-.
What are the key properties of (2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid?
(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid has a molecular weight of 315.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid is sourced from PubChem (CID 46371423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).