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

C15H14F3N3O4S2 — CID 70405903

IUPAC3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide
SMILESNS(=O)(=O)N1c2cc(C(F)(F)F)ccc2S(=O)(=O)NC1Cc1ccccc1
InChIInChI=1S/C15H14F3N3O4S2/c16-15(17,18)11-6-7-13-12(9-11)21(27(19,24)25)14(20-26(13,22)23)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H2,19,24,25)
InChIKeyJEVWOFSMYDGQOD-UHFFFAOYSA-N
MW421.42 g/mol
LogP1.58
Rot. Bonds3

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

3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide (PubChem CID 70405903) has the molecular formula C15H14F3N3O4S2 and a molecular weight of 421.42 g/mol. Its IUPAC name is 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide.

Molecular Properties

Compound Name3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide
PubChem CID70405903
Molecular FormulaC15H14F3N3O4S2
Molecular Weight421.42 g/mol
Exact Mass421.04
IUPAC Name3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide
SMILESNS(=O)(=O)N1c2cc(C(F)(F)F)ccc2S(=O)(=O)NC1Cc1ccccc1
InChIInChI=1S/C15H14F3N3O4S2/c16-15(17,18)11-6-7-13-12(9-11)21(27(19,24)25)14(20-26(13,22)23)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H2,19,24,25)
InChIKeyJEVWOFSMYDGQOD-UHFFFAOYSA-N
XLogP1.58
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide 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 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide?
The IUPAC name of 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide (CID 70405903) is 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide.
What is the SMILES notation for 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide?
The canonical SMILES for 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide is NS(=O)(=O)N1c2cc(C(F)(F)F)ccc2S(=O)(=O)NC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide?
The InChIKey is JEVWOFSMYDGQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4S2/c16-15(17,18)11-6-7-13-12(9-11)21(27(19,24)25)14(20-26(13,22)23)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H2,19,24,25).
What are the key properties of 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide?
3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide has a molecular weight of 421.42 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1λ6,2,4-benzothiadiazine-4-sulfonamide is sourced from PubChem (CID 70405903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).