7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide

C8H7NO3S — CID 155543665

IUPAC7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESCc1ccc2c(c1)OS(=O)(=O)N=C2
InChIInChI=1S/C8H7NO3S/c1-6-2-3-7-5-9-13(10,11)12-8(7)4-6/h2-5H,1H3
InChIKeyPLXYTMPRGUXNFW-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.05
Rot. Bonds

About 7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide

7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 155543665) has the molecular formula C8H7NO3S and a molecular weight of 197.22 g/mol. Its IUPAC name is 7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID155543665
Molecular FormulaC8H7NO3S
Molecular Weight197.22 g/mol
Exact Mass197.01
IUPAC Name7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESCc1ccc2c(c1)OS(=O)(=O)N=C2
InChIInChI=1S/C8H7NO3S/c1-6-2-3-7-5-9-13(10,11)12-8(7)4-6/h2-5H,1H3
InChIKeyPLXYTMPRGUXNFW-UHFFFAOYSA-N
XLogP1.05
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2H-1,2lambda~6~,3-Benzoxathiazine-2,2-dione
CID 12712805
1,2,3-Benzoxathiazine, 6-methyl-, 2,2-dioxide
CID 132511405
6-Methoxybenzo[E][1,2,3]oxathiazine 2,2-dioxide
CID 132608463
8-Fluoro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155526095
7-Fluoro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155533851
5-Fluoro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155540362
8-Tert-butyl-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 125495870
6-Fluorobenzo[e][1,2,3]oxathiazine 2,2-dioxide
CID 71746515
4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione
CID 2737954
Benzo-1,2,3-dioxazine
CID 18673141
Benzoxathiazine
CID 22055088
6-Tert-butyl-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 125495337

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 155543665) is 7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide is Cc1ccc2c(c1)OS(=O)(=O)N=C2.
What is the InChIKey of 7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is PLXYTMPRGUXNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S/c1-6-2-3-7-5-9-13(10,11)12-8(7)4-6/h2-5H,1H3.
What are the key properties of 7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide?
7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide has a molecular weight of 197.22 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 155543665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).