6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one

C7H4ClNO4S — CID 14117914

IUPAC6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one
SMILESO=C1NS(=O)(=O)Oc2ccc(Cl)cc21
InChIInChI=1S/C7H4ClNO4S/c8-4-1-2-6-5(3-4)7(10)9-14(11,12)13-6/h1-3H,(H,9,10)
InChIKeyAZGJUINXRVVJNN-UHFFFAOYSA-N
MW233.63 g/mol
LogP0.71
Rot. Bonds

About 6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one

6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one (PubChem CID 14117914) has the molecular formula C7H4ClNO4S and a molecular weight of 233.63 g/mol. Its IUPAC name is 6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one.

Molecular Properties

Compound Name6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one
PubChem CID14117914
Molecular FormulaC7H4ClNO4S
Molecular Weight233.63 g/mol
Exact Mass232.95
IUPAC Name6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one
SMILESO=C1NS(=O)(=O)Oc2ccc(Cl)cc21
InChIInChI=1S/C7H4ClNO4S/c8-4-1-2-6-5(3-4)7(10)9-14(11,12)13-6/h1-3H,(H,9,10)
InChIKeyAZGJUINXRVVJNN-UHFFFAOYSA-N
XLogP0.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 73440590
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one?
The IUPAC name of 6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one (CID 14117914) is 6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one.
What is the SMILES notation for 6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one?
The canonical SMILES for 6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one is O=C1NS(=O)(=O)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one?
The InChIKey is AZGJUINXRVVJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO4S/c8-4-1-2-6-5(3-4)7(10)9-14(11,12)13-6/h1-3H,(H,9,10).
What are the key properties of 6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one?
6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one has a molecular weight of 233.63 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one is sourced from PubChem (CID 14117914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).