6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide

C7H4ClNO3S — CID 12712806

IUPAC6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2cc(Cl)ccc2O1
InChIInChI=1S/C7H4ClNO3S/c8-6-1-2-7-5(3-6)4-9-13(10,11)12-7/h1-4H
InChIKeyFSJOTWFQOBRYKY-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.40
Rot. Bonds

About 6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide

6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide (PubChem CID 12712806) has the molecular formula C7H4ClNO3S and a molecular weight of 217.63 g/mol. Its IUPAC name is 6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
PubChem CID12712806
Molecular FormulaC7H4ClNO3S
Molecular Weight217.63 g/mol
Exact Mass216.96
IUPAC Name6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2cc(Cl)ccc2O1
InChIInChI=1S/C7H4ClNO3S/c8-6-1-2-7-5(3-6)4-9-13(10,11)12-7/h1-4H
InChIKeyFSJOTWFQOBRYKY-UHFFFAOYSA-N
XLogP1.40
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide (CID 12712806) is 6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide is O=S1(=O)N=Cc2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is FSJOTWFQOBRYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO3S/c8-6-1-2-7-5(3-6)4-9-13(10,11)12-7/h1-4H.
What are the key properties of 6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide?
6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide has a molecular weight of 217.63 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 12712806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).