N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide

C9H11BrF2N2O2S — CID 54973961

IUPACN-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H11BrF2N2O2S/c1-13-2-3-17(15,16)14-9-7(10)4-6(11)5-8(9)12/h4-5,13-14H,2-3H2,1H3
InChIKeyRAYIXIFCCRDWBF-UHFFFAOYSA-N
MW329.17 g/mol
LogP1.69
Rot. Bonds5

About N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide

N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide (PubChem CID 54973961) has the molecular formula C9H11BrF2N2O2S and a molecular weight of 329.17 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide
PubChem CID54973961
Molecular FormulaC9H11BrF2N2O2S
Molecular Weight329.17 g/mol
Exact Mass327.97
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H11BrF2N2O2S/c1-13-2-3-17(15,16)14-9-7(10)4-6(11)5-8(9)12/h4-5,13-14H,2-3H2,1H3
InChIKeyRAYIXIFCCRDWBF-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide (CID 54973961) is N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide is CNCCS(=O)(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide?
The InChIKey is RAYIXIFCCRDWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF2N2O2S/c1-13-2-3-17(15,16)14-9-7(10)4-6(11)5-8(9)12/h4-5,13-14H,2-3H2,1H3.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide?
N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide has a molecular weight of 329.17 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)ethanesulfonamide is sourced from PubChem (CID 54973961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).