5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide

C9H10BrFN2O3S — CID 65373691

IUPAC5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide
SMILESCN(C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C9H10BrFN2O3S/c1-13(2)9(14)6-3-5(10)4-7(8(6)11)17(12,15)16/h3-4H,1-2H3,(H2,12,15,16)
InChIKeyYIFJQEGNHHGBOV-UHFFFAOYSA-N
MW325.16 g/mol
LogP0.94
Rot. Bonds2

About 5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide

5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide (PubChem CID 65373691) has the molecular formula C9H10BrFN2O3S and a molecular weight of 325.16 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide
PubChem CID65373691
Molecular FormulaC9H10BrFN2O3S
Molecular Weight325.16 g/mol
Exact Mass323.96
IUPAC Name5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide
SMILESCN(C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C9H10BrFN2O3S/c1-13(2)9(14)6-3-5(10)4-7(8(6)11)17(12,15)16/h3-4H,1-2H3,(H2,12,15,16)
InChIKeyYIFJQEGNHHGBOV-UHFFFAOYSA-N
XLogP0.94
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide 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

5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65387477
5-bromo-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65387143
propyl 5-bromo-2-fluoro-3-sulfamoylbenzoate
CID 65382220
5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide
CID 65388620
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonamide
CID 65375980
N-(1-aminopropan-2-yl)-5-bromo-2-fluoro-N-methyl-3-methylsulfonylbenzamide
CID 119583669
5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65386494
N-cyclopropyl-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373323
5-bromo-3-chloro-2-fluorobenzenesulfonamide
CID 131622390
5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65373518
N,N,5-trimethyl-2-sulfamoylbenzamide
CID 65456580
2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide
CID 65387387

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide (CID 65373691) is 5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide is CN(C)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1F.
What is the InChIKey of 5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide?
The InChIKey is YIFJQEGNHHGBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O3S/c1-13(2)9(14)6-3-5(10)4-7(8(6)11)17(12,15)16/h3-4H,1-2H3,(H2,12,15,16).
What are the key properties of 5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide?
5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide has a molecular weight of 325.16 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65373691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).