N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide

C8H9BrFNO2S — CID 47320493

IUPACN-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C8H9BrFNO2S/c1-14(12,13)11-5-6-2-7(9)4-8(10)3-6/h2-4,11H,5H2,1H3
InChIKeyVPMBPJNBIUPILI-UHFFFAOYSA-N
MW282.13 g/mol
LogP1.64
Rot. Bonds3

About N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide

N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide (PubChem CID 47320493) has the molecular formula C8H9BrFNO2S and a molecular weight of 282.13 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide
PubChem CID47320493
Molecular FormulaC8H9BrFNO2S
Molecular Weight282.13 g/mol
Exact Mass280.95
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C8H9BrFNO2S/c1-14(12,13)11-5-6-2-7(9)4-8(10)3-6/h2-4,11H,5H2,1H3
InChIKeyVPMBPJNBIUPILI-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide (CID 47320493) is N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is VPMBPJNBIUPILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2S/c1-14(12,13)11-5-6-2-7(9)4-8(10)3-6/h2-4,11H,5H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide?
N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide has a molecular weight of 282.13 g/mol, XLogP of 1.64, 3 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)methyl]methanesulfonamide is sourced from PubChem (CID 47320493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).