1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid

C8H8N2O4S — CID 15230296

IUPAC1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid
SMILESO=C(O)C1Nc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C8H8N2O4S/c11-8(12)7-9-5-3-1-2-4-6(5)15(13,14)10-7/h1-4,7,9-10H,(H,11,12)
InChIKeyKHMJUYHKYXZJFI-UHFFFAOYSA-N
MW228.23 g/mol
LogP-0.20
Rot. Bonds1

About 1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid

1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid (PubChem CID 15230296) has the molecular formula C8H8N2O4S and a molecular weight of 228.23 g/mol. Its IUPAC name is 1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid.

Molecular Properties

Compound Name1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid
PubChem CID15230296
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Exact Mass228.02
IUPAC Name1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid
SMILESO=C(O)C1Nc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C8H8N2O4S/c11-8(12)7-9-5-3-1-2-4-6(5)15(13,14)10-7/h1-4,7,9-10H,(H,11,12)
InChIKeyKHMJUYHKYXZJFI-UHFFFAOYSA-N
XLogP-0.20
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid?
The IUPAC name of 1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid (CID 15230296) is 1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid.
What is the SMILES notation for 1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid?
The canonical SMILES for 1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid is O=C(O)C1Nc2ccccc2S(=O)(=O)N1.
What is the InChIKey of 1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid?
The InChIKey is KHMJUYHKYXZJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S/c11-8(12)7-9-5-3-1-2-4-6(5)15(13,14)10-7/h1-4,7,9-10H,(H,11,12).
What are the key properties of 1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid?
1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid has a molecular weight of 228.23 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid is sourced from PubChem (CID 15230296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).