sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one

C10H11N2NaO3S — CID 13124860

IUPACsodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one
SMILESCC(C)N1C(=O)c2ccccc2[N-]S1(=O)=O.[Na+]
InChIInChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1
InChIKeyNCLRGQCNIDLTDW-UHFFFAOYSA-M
MW262.27 g/mol
LogP-1.20
Rot. Bonds1

About sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one

sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one (PubChem CID 13124860) has the molecular formula C10H11N2NaO3S and a molecular weight of 262.27 g/mol. Its IUPAC name is sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one.

Molecular Properties

Compound Namesodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one
PubChem CID13124860
Molecular FormulaC10H11N2NaO3S
Molecular Weight262.27 g/mol
Exact Mass262.04
IUPAC Namesodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one
SMILESCC(C)N1C(=O)c2ccccc2[N-]S1(=O)=O.[Na+]
InChIInChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1
InChIKeyNCLRGQCNIDLTDW-UHFFFAOYSA-M
XLogP-1.20
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one
CID 20563508
CID 67714775
CID 67714775
calcium 2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
CID 19955421
potassium;2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one;hydride
CID 173283620
1-deuterio-2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-4-one
CID 138395997
7-amino-1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one
CID 117003872
4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one
CID 67242125
1-benzyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one
CID 2825491
1-(azidomethyl)-2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-4-one
CID 21282810
CID 163871249
CID 163871249
8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
CID 22768196
1-[(4-chlorophenyl)methyl]-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one
CID 506499

Frequently Asked Questions

What is the IUPAC name of sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one?
The IUPAC name of sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one (CID 13124860) is sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one.
What is the SMILES notation for sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one?
The canonical SMILES for sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one is CC(C)N1C(=O)c2ccccc2[N-]S1(=O)=O.[Na+].
What is the InChIKey of sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one?
The InChIKey is NCLRGQCNIDLTDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1.
What are the key properties of sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one?
sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one has a molecular weight of 262.27 g/mol, XLogP of -1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one is sourced from PubChem (CID 13124860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).