2-bromo-3-fluoro-N-methylbenzenesulfonamide

C7H7BrFNO2S — CID 162420977

IUPAC2-bromo-3-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(F)c1Br
InChIInChI=1S/C7H7BrFNO2S/c1-10-13(11,12)6-4-2-3-5(9)7(6)8/h2-4,10H,1H3
InChIKeyQMRDCMFMUGQXTJ-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.50
Rot. Bonds2

About 2-bromo-3-fluoro-N-methylbenzenesulfonamide

2-bromo-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 162420977) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-bromo-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-N-methylbenzenesulfonamide
PubChem CID162420977
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC Name2-bromo-3-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(F)c1Br
InChIInChI=1S/C7H7BrFNO2S/c1-10-13(11,12)6-4-2-3-5(9)7(6)8/h2-4,10H,1H3
InChIKeyQMRDCMFMUGQXTJ-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-chloro-N-methylbenzenesulfonamide
CID 130173119
2-bromo-N-methylbenzenesulfonamide
CID 850141
5-amino-2-(2-bromo-6-fluoroanilino)-N-methylbenzenesulfonamide
CID 107596756
2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
CID 154840283
2-fluoro-N-[2-(methylsulfamoyl)phenyl]benzamide
CID 61042650
2-tert-butyl-N-methylbenzenesulfonamide
CID 118909876
5-amino-2-(2,6-difluoroanilino)-N-methylbenzenesulfonamide
CID 103286692
5-[(2-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519696
N-tert-butyl-2,3-difluorobenzenesulfonamide
CID 167068212
N-[(2-fluorophenyl)-methylidene-oxo-λ6-sulfanyl]methanamine;propane
CID 142042743
2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 21078666
N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10553370

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-3-fluoro-N-methylbenzenesulfonamide (CID 162420977) is 2-bromo-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-3-fluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is QMRDCMFMUGQXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c1-10-13(11,12)6-4-2-3-5(9)7(6)8/h2-4,10H,1H3.
What are the key properties of 2-bromo-3-fluoro-N-methylbenzenesulfonamide?
2-bromo-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 268.11 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 162420977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).