methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate

C16H15N3O5S2 — CID 20917588

IUPACmethyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate
SMILESCOC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3ccccn3)cc21
InChIInChI=1S/C16H15N3O5S2/c1-24-16(21)9-19-12-8-11(5-6-13(12)25-10-15(19)20)26(22,23)18-14-4-2-3-7-17-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyVMLMVLDQHUSBOD-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.49
Rot. Bonds5

About methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate

methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate (PubChem CID 20917588) has the molecular formula C16H15N3O5S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate
PubChem CID20917588
Molecular FormulaC16H15N3O5S2
Molecular Weight393.45 g/mol
Exact Mass393.05
IUPAC Namemethyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate
SMILESCOC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3ccccn3)cc21
InChIInChI=1S/C16H15N3O5S2/c1-24-16(21)9-19-12-8-11(5-6-13(12)25-10-15(19)20)26(22,23)18-14-4-2-3-7-17-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyVMLMVLDQHUSBOD-UHFFFAOYSA-N
XLogP1.49
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917528
methyl 2-[6-(3-methylbutylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917559
methyl 2-[6-[(2,5-diethoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917582
methyl 2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917549
methyl 2-[6-(4-cyclopentylpiperazin-1-yl)sulfonyl-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917591
N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide
CID 50777221
methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate
CID 126460552
N-(3-methoxyphenyl)-2-(3-oxo-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide
CID 20903114
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
methyl 3-(6-amino-3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 115232222
[(1S,2R)-2-methoxycyclopentyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 96523603
N-cycloheptyl-2-(3-oxo-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide
CID 4064303

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate?
The IUPAC name of methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate (CID 20917588) is methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate.
What is the SMILES notation for methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate?
The canonical SMILES for methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate is COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3ccccn3)cc21.
What is the InChIKey of methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate?
The InChIKey is VMLMVLDQHUSBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S2/c1-24-16(21)9-19-12-8-11(5-6-13(12)25-10-15(19)20)26(22,23)18-14-4-2-3-7-17-14/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate?
methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate has a molecular weight of 393.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-oxo-6-(pyridin-2-ylsulfamoyl)-1,4-benzothiazin-4-yl]acetate is sourced from PubChem (CID 20917588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).