1H-Pyrrolo[2,3-B]pyridin-3-OL, 1-(phenylsulfonyl)-, 3-formate

HCID 49758908
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Basic information

Standard SMILES
O=COc1cn(S(=O)(=O)c2ccccc2)c2ncccc12
InChIKey
KXSYYBJAEPMXMS-UHFFFAOYSA-N
Molecular formula
C14H10N2O4S
Average molar mass
302.31 g/mol
Monoisotopic mass
302.03612798

Names & identifiers

Preferred name
1H-Pyrrolo[2,3-B]pyridin-3-OL, 1-(phenylsulfonyl)-, 3-formate
IUPAC
[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl] formate

Names & synonyms

947498-93-31H-PYRROLO[2,3-B]PYRIDIN-3-OL, 1-(PHENYLSULFONYL)-, 3-FORMATESCHEMBL3339933KXSYYBJAEPMXMS-UHFFFAOYSA-N1H-Pyrrolo[2,3-b]pyridin-3-ol,1-(phenylsulfonyl)-,3-formate1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl formate

Database identifiers

PubChem CID
49758908

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
86.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
21

Related reactions

3 records
New reaction record

Compound notes

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