1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane

C12H20F3N3O6S4 — CID 139073247

IUPAC1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane
SMILESCS(C)=O.CS(C)=O.NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O
InChIInChI=1S/C8H8F3N3O4S2.2C2H6OS/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5;2*1-4(2)3/h1-2,13-14H,3H2,(H2,12,15,16);2*1-2H3
InChIKeyIGYSVGQZGBBZGW-UHFFFAOYSA-N
MW487.57 g/mol
LogP0.00
Rot. Bonds1

About 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane

1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane (PubChem CID 139073247) has the molecular formula C12H20F3N3O6S4 and a molecular weight of 487.57 g/mol. Its IUPAC name is 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane.

Molecular Properties

Compound Name1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane
PubChem CID139073247
Molecular FormulaC12H20F3N3O6S4
Molecular Weight487.57 g/mol
Exact Mass487.02
IUPAC Name1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane
SMILESCS(C)=O.CS(C)=O.NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O
InChIInChI=1S/C8H8F3N3O4S2.2C2H6OS/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5;2*1-4(2)3/h1-2,13-14H,3H2,(H2,12,15,16);2*1-2H3
InChIKeyIGYSVGQZGBBZGW-UHFFFAOYSA-N
XLogP0.00
TPSA152.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane?
The IUPAC name of 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane (CID 139073247) is 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane.
What is the SMILES notation for 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane?
The canonical SMILES for 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane is CS(C)=O.CS(C)=O.NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O.
What is the InChIKey of 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane?
The InChIKey is IGYSVGQZGBBZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O4S2.2C2H6OS/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5;2*1-4(2)3/h1-2,13-14H,3H2,(H2,12,15,16);2*1-2H3.
What are the key properties of 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane?
1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane has a molecular weight of 487.57 g/mol, XLogP of 0.00, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;methylsulfinylmethane is sourced from PubChem (CID 139073247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).