1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide

C8H8F3N3O4S2 — CID 70066854

IUPAC1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide
SMILESNS(=O)(=O)N1CNS(=O)(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C8H8F3N3O4S2/c9-8(10,11)5-1-2-7-6(3-5)14(20(12,17)18)4-13-19(7,15)16/h1-3,13H,4H2,(H2,12,17,18)
InChIKeyOUMLTAPOCRHJBV-UHFFFAOYSA-N
MW331.30 g/mol
LogP-0.04
Rot. Bonds1

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

1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide (PubChem CID 70066854) has the molecular formula C8H8F3N3O4S2 and a molecular weight of 331.30 g/mol. Its IUPAC name is 1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide
PubChem CID70066854
Molecular FormulaC8H8F3N3O4S2
Molecular Weight331.30 g/mol
Exact Mass330.99
IUPAC Name1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide
SMILESNS(=O)(=O)N1CNS(=O)(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C8H8F3N3O4S2/c9-8(10,11)5-1-2-7-6(3-5)14(20(12,17)18)4-13-19(7,15)16/h1-3,13H,4H2,(H2,12,17,18)
InChIKeyOUMLTAPOCRHJBV-UHFFFAOYSA-N
XLogP-0.04
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide?
The IUPAC name of 1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide (CID 70066854) is 1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide.
What is the SMILES notation for 1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide?
The canonical SMILES for 1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide is NS(=O)(=O)N1CNS(=O)(=O)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide?
The InChIKey is OUMLTAPOCRHJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O4S2/c9-8(10,11)5-1-2-7-6(3-5)14(20(12,17)18)4-13-19(7,15)16/h1-3,13H,4H2,(H2,12,17,18).
What are the key properties of 1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide?
1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide has a molecular weight of 331.30 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide is sourced from PubChem (CID 70066854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).