3-bromo-5-fluorobenzenesulfonamide

C6H5BrFNO2S — CID 118572967

IUPAC3-bromo-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C6H5BrFNO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyQWTUMPLHIHZLAE-UHFFFAOYSA-N
MW254.08 g/mol
LogP1.24
Rot. Bonds1

About 3-bromo-5-fluorobenzenesulfonamide

3-bromo-5-fluorobenzenesulfonamide (PubChem CID 118572967) has the molecular formula C6H5BrFNO2S and a molecular weight of 254.08 g/mol. Its IUPAC name is 3-bromo-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-fluorobenzenesulfonamide
PubChem CID118572967
Molecular FormulaC6H5BrFNO2S
Molecular Weight254.08 g/mol
Exact Mass252.92
IUPAC Name3-bromo-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C6H5BrFNO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyQWTUMPLHIHZLAE-UHFFFAOYSA-N
XLogP1.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-fluorobenzenesulfonamide 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

3-bromo-5-fluoroaniline
CID 15020155
3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073
methyl 3-bromo-5-(3-bromo-5-fluorophenyl)sulfonylbenzoate
CID 142587807
3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide
CID 63687706
3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 123739849
1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea
CID 78993821
2,4,6-trifluorobenzenesulfonamide
CID 2778291
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
N,N-diethyl-3-fluoro-5-sulfamoylbenzamide
CID 65375543
5-bromo-3-chloro-2-fluorobenzenesulfonamide
CID 131622390
2-bromo-3-chloro-5-fluorobenzenesulfonamide
CID 131622380
4-bromo-2-fluoro-6-iodobenzenesulfonamide
CID 171033063

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluorobenzenesulfonamide?
The IUPAC name of 3-bromo-5-fluorobenzenesulfonamide (CID 118572967) is 3-bromo-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-bromo-5-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluorobenzenesulfonamide?
The InChIKey is QWTUMPLHIHZLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of 3-bromo-5-fluorobenzenesulfonamide?
3-bromo-5-fluorobenzenesulfonamide has a molecular weight of 254.08 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluorobenzenesulfonamide is sourced from PubChem (CID 118572967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).