N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide

C14H13BrFNO2S — CID 107592640

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H13BrFNO2S/c1-10-7-13(16)12(15)8-14(10)17-20(18,19)9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3
InChIKeyWPMDVWPMHQQWMK-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.84
Rot. Bonds4

About N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide

N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide (PubChem CID 107592640) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
PubChem CID107592640
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H13BrFNO2S/c1-10-7-13(16)12(15)8-14(10)17-20(18,19)9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3
InChIKeyWPMDVWPMHQQWMK-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
CID 107592659
N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide
CID 170149320
N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
CID 28939221
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137
N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256
N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
CID 110776887
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 110777323
5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 107591356

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide (CID 107592640) is N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide is Cc1cc(F)c(Br)cc1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is WPMDVWPMHQQWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-10-7-13(16)12(15)8-14(10)17-20(18,19)9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3.
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 107592640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).