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{5-Fluoro-2-methyl-3-[2-(methylphenylsulfamoyl)benzyl]indol-1-yl}acetic acid

HCID 58201225
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(Cc2ccccc2S(=O)(=O)N(C)c2ccccc2)c2cc(F)ccc2n1CC(=O)O
InChIKey
QWRMCLZVZBTQPD-UHFFFAOYSA-N
Molecular formula
C25H23FN2O4S
Average molar mass
466.5 g/mol

Names & identifiers

Preferred name
{5-Fluoro-2-methyl-3-[2-(methylphenylsulfamoyl)benzyl]indol-1-yl}acetic acid
IUPAC
2-[5-fluoro-2-methyl-3-[[2-[methyl(phenyl)sulfamoyl]phenyl]methyl]indol-1-yl]acetic acid

Names & synonyms

SCHEMBL1465503QWRMCLZVZBTQPD-UHFFFAOYSA-N{5-fluoro-2-methyl-3-[2-(methylphenylsulfamoyl)benzyl]indol-1-yl}acetic acid

Database identifiers

PubChem CID
58201225

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
88 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Formal charge
0
Complexity
782

Related reactions

2 records
New reaction record
HRID 1220647 reaction equation
HRID 1220647As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1944430 reaction equation
HRID 1944430As productuspto-grants-2013_03

Compound notes

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