N-(4-bromo-2,6-difluorophenyl)methanesulfonamide

C7H6BrF2NO2S — CID 21097534

IUPACN-(4-bromo-2,6-difluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C7H6BrF2NO2S/c1-14(12,13)11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKeyQUYHWYUJIAYFIM-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.10
Rot. Bonds2

About N-(4-bromo-2,6-difluorophenyl)methanesulfonamide

N-(4-bromo-2,6-difluorophenyl)methanesulfonamide (PubChem CID 21097534) has the molecular formula C7H6BrF2NO2S and a molecular weight of 286.10 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)methanesulfonamide
PubChem CID21097534
Molecular FormulaC7H6BrF2NO2S
Molecular Weight286.10 g/mol
Exact Mass284.93
IUPAC NameN-(4-bromo-2,6-difluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C7H6BrF2NO2S/c1-14(12,13)11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKeyQUYHWYUJIAYFIM-UHFFFAOYSA-N
XLogP2.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)methanesulfonamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)methanesulfonamide (CID 21097534) is N-(4-bromo-2,6-difluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)methanesulfonamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)methanesulfonamide is CS(=O)(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)methanesulfonamide?
The InChIKey is QUYHWYUJIAYFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2S/c1-14(12,13)11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)methanesulfonamide?
N-(4-bromo-2,6-difluorophenyl)methanesulfonamide has a molecular weight of 286.10 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)methanesulfonamide is sourced from PubChem (CID 21097534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).