1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

C8H8F3N3O4S2 — CID 3647

💊View drug profile → hydroflumethiazide
IUPAC1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O
InChIInChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)
InChIKeyDMDGGSIALPNSEE-UHFFFAOYSA-N
MW331.30 g/mol
LogP0.01
Rot. Bonds1

About 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 3647) has the molecular formula C8H8F3N3O4S2 and a molecular weight of 331.30 g/mol. Its IUPAC name is 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID3647
Molecular FormulaC8H8F3N3O4S2
Molecular Weight331.30 g/mol
Exact Mass330.99
IUPAC Name1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O
InChIInChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)
InChIKeyDMDGGSIALPNSEE-UHFFFAOYSA-N
XLogP0.01
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide with MolForge

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Related Compounds

Bendroflumethiazide
CID 2315
Flumethiazide
CID 8992
Penflutizide
CID 4726
(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 44129629
2,3-Dimethyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
CID 44450268
(S)-Bendroflumethiazide
CID 6604206
6-(Trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 240979
Deschloro-fluoro-hydrochlorothiazide
CID 70876165
Bendroflumetazide
CID 44568930
Bendroflumethiazide, (R)-
CID 9845085
2H-1,2,4-Benzothiadiazine-3-carboxylic acid, 3,4-dihydro-7-sulfamoyl-6-(trifluoromethyl)-, 1,1-dioxide
CID 120662
4,6-Dimethyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 145976409

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (CID 3647) is 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide is 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-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is DMDGGSIALPNSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16).
What are the key properties of 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 331.30 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 3647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).