N-(3-bromo-5-fluorophenyl)methanesulfonamide

C7H7BrFNO2S — CID 118573396

IUPACN-(3-bromo-5-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)cc(Br)c1
InChIInChI=1S/C7H7BrFNO2S/c1-13(11,12)10-7-3-5(8)2-6(9)4-7/h2-4,10H,1H3
InChIKeyMCGIBGLPDQFGAY-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.96
Rot. Bonds2

About N-(3-bromo-5-fluorophenyl)methanesulfonamide

N-(3-bromo-5-fluorophenyl)methanesulfonamide (PubChem CID 118573396) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is N-(3-bromo-5-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-fluorophenyl)methanesulfonamide
PubChem CID118573396
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC NameN-(3-bromo-5-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)cc(Br)c1
InChIInChI=1S/C7H7BrFNO2S/c1-13(11,12)10-7-3-5(8)2-6(9)4-7/h2-4,10H,1H3
InChIKeyMCGIBGLPDQFGAY-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(3-bromo-5-fluorophenyl)methanesulfonamide (CID 118573396) is N-(3-bromo-5-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(3-bromo-5-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(3-bromo-5-fluorophenyl)methanesulfonamide is CS(=O)(=O)Nc1cc(F)cc(Br)c1.
What is the InChIKey of N-(3-bromo-5-fluorophenyl)methanesulfonamide?
The InChIKey is MCGIBGLPDQFGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c1-13(11,12)10-7-3-5(8)2-6(9)4-7/h2-4,10H,1H3.
What are the key properties of N-(3-bromo-5-fluorophenyl)methanesulfonamide?
N-(3-bromo-5-fluorophenyl)methanesulfonamide has a molecular weight of 268.11 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 118573396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).