N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide

C8H9BrFNO2S — CID 67066531

IUPACN-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)c(F)cc1Br
InChIInChI=1S/C8H9BrFNO2S/c1-5-3-8(11-14(2,12)13)7(10)4-6(5)9/h3-4,11H,1-2H3
InChIKeyVAFYUHDTLZEZRB-UHFFFAOYSA-N
MW282.13 g/mol
LogP2.27
Rot. Bonds2

About N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide

N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide (PubChem CID 67066531) has the molecular formula C8H9BrFNO2S and a molecular weight of 282.13 g/mol. Its IUPAC name is N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide
PubChem CID67066531
Molecular FormulaC8H9BrFNO2S
Molecular Weight282.13 g/mol
Exact Mass280.95
IUPAC NameN-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)c(F)cc1Br
InChIInChI=1S/C8H9BrFNO2S/c1-5-3-8(11-14(2,12)13)7(10)4-6(5)9/h3-4,11H,1-2H3
InChIKeyVAFYUHDTLZEZRB-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide?
The IUPAC name of N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide (CID 67066531) is N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide is Cc1cc(NS(C)(=O)=O)c(F)cc1Br.
What is the InChIKey of N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide?
The InChIKey is VAFYUHDTLZEZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2S/c1-5-3-8(11-14(2,12)13)7(10)4-6(5)9/h3-4,11H,1-2H3.
What are the key properties of N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide?
N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide has a molecular weight of 282.13 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide is sourced from PubChem (CID 67066531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).