7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine

C13H11ClN4O2S — CID 151819828

IUPAC7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine
SMILESCNN1C(c2cccnc2)=NS(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C13H11ClN4O2S/c1-15-18-11-5-4-10(14)7-12(11)21(19,20)17-13(18)9-3-2-6-16-8-9/h2-8,15H,1H3
InChIKeySCJWNQDEZJKWMD-UHFFFAOYSA-N
MW322.78 g/mol
LogP1.82
Rot. Bonds2

About 7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine

7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine (PubChem CID 151819828) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is 7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine.

Molecular Properties

Compound Name7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine
PubChem CID151819828
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine
SMILESCNN1C(c2cccnc2)=NS(=O)(=O)c2cc(Cl)ccc21
InChIInChI=1S/C13H11ClN4O2S/c1-15-18-11-5-4-10(14)7-12(11)21(19,20)17-13(18)9-3-2-6-16-8-9/h2-8,15H,1H3
InChIKeySCJWNQDEZJKWMD-UHFFFAOYSA-N
XLogP1.82
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine?
The IUPAC name of 7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine (CID 151819828) is 7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine.
What is the SMILES notation for 7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine?
The canonical SMILES for 7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine is CNN1C(c2cccnc2)=NS(=O)(=O)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine?
The InChIKey is SCJWNQDEZJKWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c1-15-18-11-5-4-10(14)7-12(11)21(19,20)17-13(18)9-3-2-6-16-8-9/h2-8,15H,1H3.
What are the key properties of 7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine?
7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine has a molecular weight of 322.78 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-1,1-dioxo-3-pyridin-3-yl-1λ6,2,4-benzothiadiazin-4-amine is sourced from PubChem (CID 151819828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).