6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide

C9H7Cl2NO5S — CID 23342891

IUPAC6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESCOc1c(Cl)c(OC)c2c(c1Cl)OS(=O)(=O)N=C2
InChIInChI=1S/C9H7Cl2NO5S/c1-15-7-4-3-12-18(13,14)17-8(4)6(11)9(16-2)5(7)10/h3H,1-2H3
InChIKeyZZXDJGXWXPDNOO-UHFFFAOYSA-N
MW312.13 g/mol
LogP2.07
Rot. Bonds2

About 6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide

6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 23342891) has the molecular formula C9H7Cl2NO5S and a molecular weight of 312.13 g/mol. Its IUPAC name is 6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID23342891
Molecular FormulaC9H7Cl2NO5S
Molecular Weight312.13 g/mol
Exact Mass310.94
IUPAC Name6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESCOc1c(Cl)c(OC)c2c(c1Cl)OS(=O)(=O)N=C2
InChIInChI=1S/C9H7Cl2NO5S/c1-15-7-4-3-12-18(13,14)17-8(4)6(11)9(16-2)5(7)10/h3H,1-2H3
InChIKeyZZXDJGXWXPDNOO-UHFFFAOYSA-N
XLogP2.07
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 23342891) is 6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide is COc1c(Cl)c(OC)c2c(c1Cl)OS(=O)(=O)N=C2.
What is the InChIKey of 6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is ZZXDJGXWXPDNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO5S/c1-15-7-4-3-12-18(13,14)17-8(4)6(11)9(16-2)5(7)10/h3H,1-2H3.
What are the key properties of 6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide?
6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide has a molecular weight of 312.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-5,7-dimethoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 23342891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).