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

C7H4ClNO3S — CID 139262608

IUPAC7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2ccc(Cl)cc2O1
InChIInChI=1S/C7H4ClNO3S/c8-6-2-1-5-4-9-13(10,11)12-7(5)3-6/h1-4H
InChIKeyGFIXDJJMFOGCJE-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.40
Rot. Bonds

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

7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 139262608) has the molecular formula C7H4ClNO3S and a molecular weight of 217.63 g/mol. Its IUPAC name is 7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID139262608
Molecular FormulaC7H4ClNO3S
Molecular Weight217.63 g/mol
Exact Mass216.96
IUPAC Name7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2ccc(Cl)cc2O1
InChIInChI=1S/C7H4ClNO3S/c8-6-2-1-5-4-9-13(10,11)12-7(5)3-6/h1-4H
InChIKeyGFIXDJJMFOGCJE-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 7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 139262608) is 7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide is O=S1(=O)N=Cc2ccc(Cl)cc2O1.
What is the InChIKey of 7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is GFIXDJJMFOGCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO3S/c8-6-2-1-5-4-9-13(10,11)12-7(5)3-6/h1-4H.
What are the key properties of 7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
7-chloro-1,2λ6,3-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 7-chloro-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 139262608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).