4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide

C15H14N2O4S — CID 166869043

IUPAC4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cccc3c2OS(=O)(=O)NC3)cc1
InChIInChI=1S/C15H14N2O4S/c1-16-15(18)11-7-5-10(6-8-11)13-4-2-3-12-9-17-22(19,20)21-14(12)13/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyUBNRCVBWOJEZHO-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.44
Rot. Bonds2

About 4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide

4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide (PubChem CID 166869043) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide
PubChem CID166869043
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cccc3c2OS(=O)(=O)NC3)cc1
InChIInChI=1S/C15H14N2O4S/c1-16-15(18)11-7-5-10(6-8-11)13-4-2-3-12-9-17-22(19,20)21-14(12)13/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyUBNRCVBWOJEZHO-UHFFFAOYSA-N
XLogP1.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide?
The IUPAC name of 4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide (CID 166869043) is 4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide?
The canonical SMILES for 4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide is CNC(=O)c1ccc(-c2cccc3c2OS(=O)(=O)NC3)cc1.
What is the InChIKey of 4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide?
The InChIKey is UBNRCVBWOJEZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-16-15(18)11-7-5-10(6-8-11)13-4-2-3-12-9-17-22(19,20)21-14(12)13/h2-8,17H,9H2,1H3,(H,16,18).
What are the key properties of 4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide?
4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide has a molecular weight of 318.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dioxo-3,4-dihydro-1,2λ6,3-benzoxathiazin-8-yl)-N-methylbenzamide is sourced from PubChem (CID 166869043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).