1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid

C15H10FNO4S — CID 23651243

IUPAC1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid
SMILESO=C(O)c1cn(S(=O)(=O)c2ccccc2)c2ccc(F)cc12
InChIInChI=1S/C15H10FNO4S/c16-10-6-7-14-12(8-10)13(15(18)19)9-17(14)22(20,21)11-4-2-1-3-5-11/h1-9H,(H,18,19)
InChIKeyFEEMSFWEOOMLSV-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.72
Rot. Bonds3

About 1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid

1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid (PubChem CID 23651243) has the molecular formula C15H10FNO4S and a molecular weight of 319.31 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid
PubChem CID23651243
Molecular FormulaC15H10FNO4S
Molecular Weight319.31 g/mol
Exact Mass319.03
IUPAC Name1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid
SMILESO=C(O)c1cn(S(=O)(=O)c2ccccc2)c2ccc(F)cc12
InChIInChI=1S/C15H10FNO4S/c16-10-6-7-14-12(8-10)13(15(18)19)9-17(14)22(20,21)11-4-2-1-3-5-11/h1-9H,(H,18,19)
InChIKeyFEEMSFWEOOMLSV-UHFFFAOYSA-N
XLogP2.72
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid?
The IUPAC name of 1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid (CID 23651243) is 1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid.
What is the SMILES notation for 1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid?
The canonical SMILES for 1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid is O=C(O)c1cn(S(=O)(=O)c2ccccc2)c2ccc(F)cc12.
What is the InChIKey of 1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid?
The InChIKey is FEEMSFWEOOMLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO4S/c16-10-6-7-14-12(8-10)13(15(18)19)9-17(14)22(20,21)11-4-2-1-3-5-11/h1-9H,(H,18,19).
What are the key properties of 1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid?
1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid has a molecular weight of 319.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-fluoroindole-3-carboxylic acid is sourced from PubChem (CID 23651243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).