4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide

C16H14N2O4S — CID 54685821

IUPAC4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide
SMILESCN1c2ccccc2C(O)=C(C(=O)Nc2ccccc2)S1(=O)=O
InChIInChI=1S/C16H14N2O4S/c1-18-13-10-6-5-9-12(13)14(19)15(23(18,21)22)16(20)17-11-7-3-2-4-8-11/h2-10,19H,1H3,(H,17,20)
InChIKeyCLKKWQOKQDVKQN-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.33
Rot. Bonds2

About 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide

4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 54685821) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide
PubChem CID54685821
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide
SMILESCN1c2ccccc2C(O)=C(C(=O)Nc2ccccc2)S1(=O)=O
InChIInChI=1S/C16H14N2O4S/c1-18-13-10-6-5-9-12(13)14(19)15(23(18,21)22)16(20)17-11-7-3-2-4-8-11/h2-10,19H,1H3,(H,17,20)
InChIKeyCLKKWQOKQDVKQN-UHFFFAOYSA-N
XLogP2.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide (CID 54685821) is 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide is CN1c2ccccc2C(O)=C(C(=O)Nc2ccccc2)S1(=O)=O.
What is the InChIKey of 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is CLKKWQOKQDVKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-18-13-10-6-5-9-12(13)14(19)15(23(18,21)22)16(20)17-11-7-3-2-4-8-11/h2-10,19H,1H3,(H,17,20).
What are the key properties of 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide?
4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 54685821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).