6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine

C13H10F2N4O2S — CID 70238711

IUPAC6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine
SMILESCN(C1=NS(=O)(=O)c2c(F)cc(F)cc2N1)c1ccccn1
InChIInChI=1S/C13H10F2N4O2S/c1-19(11-4-2-3-5-16-11)13-17-10-7-8(14)6-9(15)12(10)22(20,21)18-13/h2-7H,1H3,(H,17,18)
InChIKeySERLBCHWESYJDT-UHFFFAOYSA-N
MW324.31 g/mol
LogP1.97
Rot. Bonds1

About 6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine

6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine (PubChem CID 70238711) has the molecular formula C13H10F2N4O2S and a molecular weight of 324.31 g/mol. Its IUPAC name is 6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine.

Molecular Properties

Compound Name6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine
PubChem CID70238711
Molecular FormulaC13H10F2N4O2S
Molecular Weight324.31 g/mol
Exact Mass324.05
IUPAC Name6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine
SMILESCN(C1=NS(=O)(=O)c2c(F)cc(F)cc2N1)c1ccccn1
InChIInChI=1S/C13H10F2N4O2S/c1-19(11-4-2-3-5-16-11)13-17-10-7-8(14)6-9(15)12(10)22(20,21)18-13/h2-7H,1H3,(H,17,18)
InChIKeySERLBCHWESYJDT-UHFFFAOYSA-N
XLogP1.97
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine?
The IUPAC name of 6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine (CID 70238711) is 6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine.
What is the SMILES notation for 6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine?
The canonical SMILES for 6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine is CN(C1=NS(=O)(=O)c2c(F)cc(F)cc2N1)c1ccccn1.
What is the InChIKey of 6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine?
The InChIKey is SERLBCHWESYJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O2S/c1-19(11-4-2-3-5-16-11)13-17-10-7-8(14)6-9(15)12(10)22(20,21)18-13/h2-7H,1H3,(H,17,18).
What are the key properties of 6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine?
6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine has a molecular weight of 324.31 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-methyl-1,1-dioxo-N-pyridin-2-yl-4H-1λ6,2,4-benzothiadiazin-3-amine is sourced from PubChem (CID 70238711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).