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

C9H10BrF2NO3S — CID 86794019

IUPACN-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H10BrF2NO3S/c1-16-2-3-17(14,15)13-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeySDLFBOFQBDRFES-UHFFFAOYSA-N
MW330.15 g/mol
LogP2.12
Rot. Bonds5

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

N-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide (PubChem CID 86794019) has the molecular formula C9H10BrF2NO3S and a molecular weight of 330.15 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide
PubChem CID86794019
Molecular FormulaC9H10BrF2NO3S
Molecular Weight330.15 g/mol
Exact Mass328.95
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H10BrF2NO3S/c1-16-2-3-17(14,15)13-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeySDLFBOFQBDRFES-UHFFFAOYSA-N
XLogP2.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide (CID 86794019) is N-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide?
The InChIKey is SDLFBOFQBDRFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO3S/c1-16-2-3-17(14,15)13-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide?
N-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide has a molecular weight of 330.15 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 86794019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).