7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C7H5ClN2O2S — CID 10036276

IUPAC7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CNc2ccc(Cl)cc21
InChIInChI=1S/C7H5ClN2O2S/c8-5-1-2-6-7(3-5)13(11,12)10-4-9-6/h1-4H,(H,9,10)
InChIKeyYFIQALNGUVTNHV-UHFFFAOYSA-N
MW216.65 g/mol
LogP1.48
Rot. Bonds

About 7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 10036276) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is 7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID10036276
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Name7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)N=CNc2ccc(Cl)cc21
InChIInChI=1S/C7H5ClN2O2S/c8-5-1-2-6-7(3-5)13(11,12)10-4-9-6/h1-4H,(H,9,10)
InChIKeyYFIQALNGUVTNHV-UHFFFAOYSA-N
XLogP1.48
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 10036276) is 7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)N=CNc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is YFIQALNGUVTNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c8-5-1-2-6-7(3-5)13(11,12)10-4-9-6/h1-4H,(H,9,10).
What are the key properties of 7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 216.65 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 10036276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).