5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide

C11H9BrFNO3S — CID 60704739

IUPAC5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide
SMILESO=C(NC1C=CS(=O)(=O)C1)c1cc(Br)ccc1F
InChIInChI=1S/C11H9BrFNO3S/c12-7-1-2-10(13)9(5-7)11(15)14-8-3-4-18(16,17)6-8/h1-5,8H,6H2,(H,14,15)
InChIKeyDJZJZMOHMRKTQQ-UHFFFAOYSA-N
MW334.17 g/mol
LogP1.63
Rot. Bonds2

About 5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide

5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide (PubChem CID 60704739) has the molecular formula C11H9BrFNO3S and a molecular weight of 334.17 g/mol. Its IUPAC name is 5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide
PubChem CID60704739
Molecular FormulaC11H9BrFNO3S
Molecular Weight334.17 g/mol
Exact Mass332.95
IUPAC Name5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide
SMILESO=C(NC1C=CS(=O)(=O)C1)c1cc(Br)ccc1F
InChIInChI=1S/C11H9BrFNO3S/c12-7-1-2-10(13)9(5-7)11(15)14-8-3-4-18(16,17)6-8/h1-5,8H,6H2,(H,14,15)
InChIKeyDJZJZMOHMRKTQQ-UHFFFAOYSA-N
XLogP1.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide 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

4-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide
CID 60704822
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-3-methylbenzamide
CID 81480398
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-3-nitrobenzamide
CID 60704767
5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
CID 155293429
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767098
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
CID 114301350
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
CID 63996958
4-[(5-bromo-2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223102
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 55210131

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide (CID 60704739) is 5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide is O=C(NC1C=CS(=O)(=O)C1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide?
The InChIKey is DJZJZMOHMRKTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO3S/c12-7-1-2-10(13)9(5-7)11(15)14-8-3-4-18(16,17)6-8/h1-5,8H,6H2,(H,14,15).
What are the key properties of 5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide?
5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide has a molecular weight of 334.17 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 60704739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).