methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate

C9H10N2O4S — CID 47003111

IUPACmethyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate
SMILESCOC(=O)C1Nc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C9H10N2O4S/c1-15-9(12)8-10-6-4-2-3-5-7(6)16(13,14)11-8/h2-5,8,10-11H,1H3
InChIKeyVMJNJQAMISKIID-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.11
Rot. Bonds1

About methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate

methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate (PubChem CID 47003111) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate
PubChem CID47003111
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Namemethyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate
SMILESCOC(=O)C1Nc2ccccc2S(=O)(=O)N1
InChIInChI=1S/C9H10N2O4S/c1-15-9(12)8-10-6-4-2-3-5-7(6)16(13,14)11-8/h2-5,8,10-11H,1H3
InChIKeyVMJNJQAMISKIID-UHFFFAOYSA-N
XLogP-0.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[(4-sulfamoylphenyl)carbamoylamino]acetate
CID 127567461
Methyl 2-[(3-sulfamoylphenyl)carbamoylamino]acetate
CID 166632071
1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-carboxylic acid
CID 15230296
2H-1,2,4-Benzothiadiazine, 3,4-dihydro-3-methyl-, 1,1-dioxide
CID 21829532
methyl N-[(4-sulfamoylphenyl)carbamoyl]-L-alaninate
CID 663863
4-Ethyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 16732619
2-(N-(2-aminophenyl)sulfonylanilino)acetic acid
CID 362724
2-butyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
CID 1819793
methyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-carboxylate 1,1-dioxide
CID 16956521
Methyl 2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]propanoate
CID 53593917
3-propan-2-yl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 22588810
6-methyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid
CID 16654597

Frequently Asked Questions

What is the IUPAC name of methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate?
The IUPAC name of methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate (CID 47003111) is methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate.
What is the SMILES notation for methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate?
The canonical SMILES for methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate is COC(=O)C1Nc2ccccc2S(=O)(=O)N1.
What is the InChIKey of methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate?
The InChIKey is VMJNJQAMISKIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-15-9(12)8-10-6-4-2-3-5-7(6)16(13,14)11-8/h2-5,8,10-11H,1H3.
What are the key properties of methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate?
methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate has a molecular weight of 242.26 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxylate is sourced from PubChem (CID 47003111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).