Skip to content

Bendroflumethiazide

C15H14F3N3O4S2 — CID 2315

💊View drug profile → bendroflumethiazide

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

IUPAC3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O
InChIInChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)
InChIKeyHDWIHXWEUNVBIY-UHFFFAOYSA-N
MW421.42 g/mol
LogP1.63
Rot. Bonds3

About Bendroflumethiazide

Bendroflumethiazide (PubChem CID 2315) 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)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound NameBendroflumethiazide
PubChem CID2315
Molecular FormulaC15H14F3N3O4S2
Molecular Weight421.42 g/mol
Exact Mass421.04
IUPAC Name3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O
InChIInChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)
InChIKeyHDWIHXWEUNVBIY-UHFFFAOYSA-N
XLogP1.63
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze Bendroflumethiazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hydroflumethiazide
CID 3647
Flumethiazide
CID 8992
Penflutizide
CID 4726
(S)-Bendroflumethiazide
CID 6604206
Bendroflumetazide
CID 44568930
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-3-((4-fluorophenyl)methyl)-6-((trifluoromethyl)thio)-, 1,1-dioxide
CID 3038619

Frequently Asked Questions

What is the IUPAC name of Bendroflumethiazide?
The IUPAC name of Bendroflumethiazide (CID 2315) is 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for Bendroflumethiazide?
The canonical SMILES for Bendroflumethiazide is NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O.
What is the InChIKey of Bendroflumethiazide?
The InChIKey is HDWIHXWEUNVBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23).
What are the key properties of Bendroflumethiazide?
Bendroflumethiazide has a molecular weight of 421.42 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Bendroflumethiazide is sourced from PubChem (CID 2315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: B · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.