1-(4-fluorobenzyl)-5-methanesulfonylindole-2-carboxylic Acid Methyl Ester

HCID 68444704
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cc2cc(S(C)(=O)=O)ccc2n1Cc1ccc(F)cc1
InChIKey
YSEVLFXKFCGMAM-UHFFFAOYSA-N
Molecular formula
C18H16FNO4S
Average molar mass
361.4 g/mol
Monoisotopic mass
361.07840733

Names & identifiers

Preferred name
1-(4-fluorobenzyl)-5-methanesulfonylindole-2-carboxylic Acid Methyl Ester
IUPAC
methyl 1-[(4-fluorophenyl)methyl]-5-methylsulfonylindole-2-carboxylate

Names & synonyms

SCHEMBL2929297YSEVLFXKFCGMAM-UHFFFAOYSA-N1-(4-fluorobenzyl)-5-methanesulfonylindole-2-carboxylic Acid Methyl Ester

Database identifiers

PubChem CID
68444704

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
73.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
25

Related reactions

14 records
New reaction record

Linked notes

Loading…