4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide

C20H16N2O4S — CID 54680732

IUPAC4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccc2)=C(O)c2ccc3ccccc3c2S1(=O)=O
InChIInChI=1S/C20H16N2O4S/c1-22-17(20(24)21-14-8-3-2-4-9-14)18(23)16-12-11-13-7-5-6-10-15(13)19(16)27(22,25)26/h2-12,23H,1H3,(H,21,24)
InChIKeyTUWAWCDXMBTLEJ-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.34
Rot. Bonds2

About 4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide

4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide (PubChem CID 54680732) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide
PubChem CID54680732
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccc2)=C(O)c2ccc3ccccc3c2S1(=O)=O
InChIInChI=1S/C20H16N2O4S/c1-22-17(20(24)21-14-8-3-2-4-9-14)18(23)16-12-11-13-7-5-6-10-15(13)19(16)27(22,25)26/h2-12,23H,1H3,(H,21,24)
InChIKeyTUWAWCDXMBTLEJ-UHFFFAOYSA-N
XLogP3.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide (CID 54680732) is 4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide is CN1C(C(=O)Nc2ccccc2)=C(O)c2ccc3ccccc3c2S1(=O)=O.
What is the InChIKey of 4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide?
The InChIKey is TUWAWCDXMBTLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-22-17(20(24)21-14-8-3-2-4-9-14)18(23)16-12-11-13-7-5-6-10-15(13)19(16)27(22,25)26/h2-12,23H,1H3,(H,21,24).
What are the key properties of 4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1,1-dioxo-N-phenylbenzo[h][1,2]benzothiazine-3-carboxamide is sourced from PubChem (CID 54680732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).