HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

methyl 3-(N-ethyl-N-methylsulfamoylamino)-2,6-difluorobenzoate

HCID 67052525
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(c1ccc(F)c(C(=O)OC)c1F)S(=O)(=O)NC
InChIKey
LANODYNBRNYQOU-UHFFFAOYSA-N
Molecular formula
C11H14F2N2O4S
Average molar mass
308.3 g/mol

Names & identifiers

Preferred name
methyl 3-(N-ethyl-N-methylsulfamoylamino)-2,6-difluorobenzoate
IUPAC
methyl 3-[ethyl(methylsulfamoyl)amino]-2,6-difluorobenzoate

Names & synonyms

SCHEMBL1490997LANODYNBRNYQOU-UHFFFAOYSA-Nmethyl 3-(N-ethyl-N-methylsulfamoylamino)-2,6-difluorobenzoate

Database identifiers

PubChem CID
67052525

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
84.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
20
Formal charge
0
Complexity
440

Related reactions

6 records
New reaction record
HRID 824999 reaction equation
HRID 824999As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1124322 reaction equation
HRID 1124322As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1943967 reaction equation
HRID 1943967As productuspto-grants-2013_03
HRID 1943968 reaction equation
HRID 1943968As reactantuspto-grants-2013_03
HRID 2196739 reaction equation
HRID 2196739As productuspto-grants-2012_12
HRID 2196740 reaction equation
HRID 2196740As reactantuspto-grants-2012_12

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes