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Hydroflumethiazide

C8H8F3N3O4S2 — CID 3647

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Data last refreshed: (MolForge compound catalog, from PubChem)

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 Hydroflumethiazide

Hydroflumethiazide (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 NameHydroflumethiazide
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

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Related Compounds

Bendroflumethiazide
CID 2315
Flumethiazide
CID 8992
Penflutizide
CID 4726
(S)-Bendroflumethiazide
CID 6604206
Deschloro-fluoro-hydrochlorothiazide
CID 70876165
Bendroflumetazide
CID 44568930

Frequently Asked Questions

What is the IUPAC name of Hydroflumethiazide?
The IUPAC name of Hydroflumethiazide (CID 3647) is 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for Hydroflumethiazide?
The canonical SMILES for Hydroflumethiazide is NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O.
What is the InChIKey of Hydroflumethiazide?
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 Hydroflumethiazide?
Hydroflumethiazide 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 Hydroflumethiazide is sourced from PubChem (CID 3647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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