6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine

C13H11FN4O2S — CID 150795510

IUPAC6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine
SMILESCNN1C(c2ccncc2)=NS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C13H11FN4O2S/c1-15-18-11-8-10(14)2-3-12(11)21(19,20)17-13(18)9-4-6-16-7-5-9/h2-8,15H,1H3
InChIKeyKETFSKNUCKSZJD-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.31
Rot. Bonds2

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

6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine (PubChem CID 150795510) has the molecular formula C13H11FN4O2S and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine
PubChem CID150795510
Molecular FormulaC13H11FN4O2S
Molecular Weight306.32 g/mol
Exact Mass306.06
IUPAC Name6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine
SMILESCNN1C(c2ccncc2)=NS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C13H11FN4O2S/c1-15-18-11-8-10(14)2-3-12(11)21(19,20)17-13(18)9-4-6-16-7-5-9/h2-8,15H,1H3
InChIKeyKETFSKNUCKSZJD-UHFFFAOYSA-N
XLogP1.31
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine?
The IUPAC name of 6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine (CID 150795510) is 6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine is CNN1C(c2ccncc2)=NS(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine?
The InChIKey is KETFSKNUCKSZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2S/c1-15-18-11-8-10(14)2-3-12(11)21(19,20)17-13(18)9-4-6-16-7-5-9/h2-8,15H,1H3.
What are the key properties of 6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine?
6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine has a molecular weight of 306.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-1,1-dioxo-3-pyridin-4-yl-1λ6,2,4-benzothiadiazin-4-amine is sourced from PubChem (CID 150795510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).