4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide

C21H16N2O4S — CID 54728413

IUPAC4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C1=C(O)c2ccccc2S(=O)(=O)N1
InChIInChI=1S/C21H16N2O4S/c24-20-17-8-4-5-9-18(17)28(26,27)23-19(20)21(25)22-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,23-24H,(H,22,25)
InChIKeyXIYQXYGLUJTURF-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.51
Rot. Bonds3

About 4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54728413) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54728413
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC Name4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C1=C(O)c2ccccc2S(=O)(=O)N1
InChIInChI=1S/C21H16N2O4S/c24-20-17-8-4-5-9-18(17)28(26,27)23-19(20)21(25)22-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,23-24H,(H,22,25)
InChIKeyXIYQXYGLUJTURF-UHFFFAOYSA-N
XLogP3.51
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide (CID 54728413) is 4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)C1=C(O)c2ccccc2S(=O)(=O)N1.
What is the InChIKey of 4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is XIYQXYGLUJTURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c24-20-17-8-4-5-9-18(17)28(26,27)23-19(20)21(25)22-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,23-24H,(H,22,25).
What are the key properties of 4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,1-dioxo-N-(4-phenylphenyl)-2H-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54728413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).