methyl 1-(phenylsulfonyl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylate

HCID 70922372

Basic information

Standard SMILES
COC(=O)c1c(C(F)(F)F)ccn1S(=O)(=O)c1ccccc1
InChIKey
HULYGMDWLKFUOC-UHFFFAOYSA-N
Molecular formula
C13H10F3NO4S
Average molar mass
333.28 g/mol
Monoisotopic mass
333.02826346

Names & identifiers

Preferred name
methyl 1-(phenylsulfonyl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylate
IUPAC
methyl 1-(benzenesulfonyl)-3-(trifluoromethyl)pyrrole-2-carboxylate

Names & synonyms

methyl 1-(phenylsulfonyl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylateSCHEMBL13505850methyl 1-(benzenesulfonyl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylate

Database identifiers

PubChem CID
70922372

Properties

Computed structural properties

XLogP
3
Topological polar surface area
73.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
22

Related reactions

5 records

Compound notes

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