1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

C8H6F3N3O4S2 — CID 8992

💊View drug profile → flumethiazide
IUPAC1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC=NS2(=O)=O
InChIInChI=1S/C8H6F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-3H,(H,13,14)(H2,12,15,16)
InChIKeyRGUQWGXAYZNLMI-UHFFFAOYSA-N
MW329.28 g/mol
LogP0.50
Rot. Bonds1

About 1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 8992) has the molecular formula C8H6F3N3O4S2 and a molecular weight of 329.28 g/mol. Its IUPAC name is 1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID8992
Molecular FormulaC8H6F3N3O4S2
Molecular Weight329.28 g/mol
Exact Mass328.98
IUPAC Name1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC=NS2(=O)=O
InChIInChI=1S/C8H6F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-3H,(H,13,14)(H2,12,15,16)
InChIKeyRGUQWGXAYZNLMI-UHFFFAOYSA-N
XLogP0.50
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bendroflumethiazide
CID 2315
Hydroflumethiazide
CID 3647
Penflutizide
CID 4726
4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide
CID 69760
2,3-Dimethyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
CID 44450268
(S)-Bendroflumethiazide
CID 6604206
Bendroflumethiazide, (R)-
CID 9845085
6-Trifluoromethyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 619537
(3R)-1,1-dioxo-3-pentyl-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
CID 76960760
Hydroflumethiazide dimethylsulfoxide disolvate
CID 139073247
N-benzyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
CID 20917067
N-(4-fluorobenzyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
CID 20917065

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of 1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (CID 8992) is 1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for 1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for 1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide is NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC=NS2(=O)=O.
What is the InChIKey of 1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is RGUQWGXAYZNLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-3H,(H,13,14)(H2,12,15,16).
What are the key properties of 1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 329.28 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 8992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).