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

N-[5-(2,6-difluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

HCID 71080157
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)S(=O)(=O)NC1Cc2ccc(-c3ccc(F)nc3F)cc2C1
InChIKey
ISMOFLACDRMSMQ-UHFFFAOYSA-N
Molecular formula
C17H18F2N2O2S
Average molar mass
352.4 g/mol
Monoisotopic mass
352.10570532

Names & identifiers

Preferred name
N-[5-(2,6-difluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
IUPAC
N-[5-(2,6-difluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

Names & synonyms

SCHEMBL14136399

Database identifiers

PubChem CID
71080157

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
67.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
537

Related reactions

1 records
New reaction record
HRID 1557990 reaction equation
HRID 1557990As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes