7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide

C15H12FN3O4S — CID 54698880

IUPAC7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccn2)=C(O)c2ccc(F)cc2S1(=O)=O
InChIInChI=1S/C15H12FN3O4S/c1-19-13(15(21)18-12-4-2-3-7-17-12)14(20)10-6-5-9(16)8-11(10)24(19,22)23/h2-8,20H,1H3,(H,17,18,21)
InChIKeyOMIKOUVTIWWNQI-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.72
Rot. Bonds2

About 7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide

7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54698880) has the molecular formula C15H12FN3O4S and a molecular weight of 349.34 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54698880
Molecular FormulaC15H12FN3O4S
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccn2)=C(O)c2ccc(F)cc2S1(=O)=O
InChIInChI=1S/C15H12FN3O4S/c1-19-13(15(21)18-12-4-2-3-7-17-12)14(20)10-6-5-9(16)8-11(10)24(19,22)23/h2-8,20H,1H3,(H,17,18,21)
InChIKeyOMIKOUVTIWWNQI-UHFFFAOYSA-N
XLogP1.72
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide (CID 54698880) is 7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide is CN1C(C(=O)Nc2ccccn2)=C(O)c2ccc(F)cc2S1(=O)=O.
What is the InChIKey of 7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is OMIKOUVTIWWNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O4S/c1-19-13(15(21)18-12-4-2-3-7-17-12)14(20)10-6-5-9(16)8-11(10)24(19,22)23/h2-8,20H,1H3,(H,17,18,21).
What are the key properties of 7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54698880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).