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

5-(3,5-difluoro-benzenesulfonyl)-1-trityl-1H-indazol-3-ylamine

HCID 66737002
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(S(=O)(=O)c3cc(F)cc(F)c3)cc12
InChIKey
WHWNXDLBLULCMI-UHFFFAOYSA-N
Molecular formula
C32H23F2N3O2S
Average molar mass
551.6 g/mol

Names & identifiers

Preferred name
5-(3,5-difluoro-benzenesulfonyl)-1-trityl-1H-indazol-3-ylamine
IUPAC
5-(3,5-difluorophenyl)sulfonyl-1-tritylindazol-3-amine

Names & synonyms

SCHEMBL591210WHWNXDLBLULCMI-UHFFFAOYSA-NDB-0949705-(3,5-difluoro-benzenesulfonyl)-1-trityl-1H-indazol-3-ylamine1034975-84-2

Database identifiers

PubChem CID
66737002

Properties

Computed structural properties

XLogP
7
Topological polar surface area
86.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
40
Formal charge
0
Complexity
887

Related reactions

3 records
New reaction record
HRID 1117103 reaction equation
HRID 1117103As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1640989 reaction equation
HRID 1640989As reactantuspto-grants-2012_02
HRID 1640999 reaction equation
HRID 1640999As reactantuspto-grants-2012_02

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes