5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C8H7FN2O2S — CID 70334142

IUPAC5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cccc(F)c2N1
InChIInChI=1S/C8H7FN2O2S/c1-5-10-8-6(9)3-2-4-7(8)14(12,13)11-5/h2-4H,1H3,(H,10,11)
InChIKeyDSPXBILFQJFBPA-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.36
Rot. Bonds

About 5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 70334142) has the molecular formula C8H7FN2O2S and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID70334142
Molecular FormulaC8H7FN2O2S
Molecular Weight214.22 g/mol
Exact Mass214.02
IUPAC Name5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cccc(F)c2N1
InChIInChI=1S/C8H7FN2O2S/c1-5-10-8-6(9)3-2-4-7(8)14(12,13)11-5/h2-4H,1H3,(H,10,11)
InChIKeyDSPXBILFQJFBPA-UHFFFAOYSA-N
XLogP1.36
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 70334142) is 5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is CC1=NS(=O)(=O)c2cccc(F)c2N1.
What is the InChIKey of 5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is DSPXBILFQJFBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2S/c1-5-10-8-6(9)3-2-4-7(8)14(12,13)11-5/h2-4H,1H3,(H,10,11).
What are the key properties of 5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?
5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 214.22 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 70334142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).