4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

C17H16N2O4S — CID 54680358

IUPAC4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCc1ccc(NC(=O)C2=C(O)c3ccccc3N(C)S2(=O)=O)cc1
InChIInChI=1S/C17H16N2O4S/c1-11-7-9-12(10-8-11)18-17(21)16-15(20)13-5-3-4-6-14(13)19(2)24(16,22)23/h3-10,20H,1-2H3,(H,18,21)
InChIKeyMSPKJIJLGHFXSR-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.64
Rot. Bonds2

About 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 54680358) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
PubChem CID54680358
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCc1ccc(NC(=O)C2=C(O)c3ccccc3N(C)S2(=O)=O)cc1
InChIInChI=1S/C17H16N2O4S/c1-11-7-9-12(10-8-11)18-17(21)16-15(20)13-5-3-4-6-14(13)19(2)24(16,22)23/h3-10,20H,1-2H3,(H,18,21)
InChIKeyMSPKJIJLGHFXSR-UHFFFAOYSA-N
XLogP2.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.64
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-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (CID 54680358) is 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is Cc1ccc(NC(=O)C2=C(O)c3ccccc3N(C)S2(=O)=O)cc1.
What is the InChIKey of 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is MSPKJIJLGHFXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-11-7-9-12(10-8-11)18-17(21)16-15(20)13-5-3-4-6-14(13)19(2)24(16,22)23/h3-10,20H,1-2H3,(H,18,21).
What are the key properties of 4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.64, 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-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 54680358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).