2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid

C15H10FNO4S — CID 22220125

IUPAC2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid
SMILESO=C(O)n1c(S(=O)(=O)c2ccc(F)cc2)cc2ccccc21
InChIInChI=1S/C15H10FNO4S/c16-11-5-7-12(8-6-11)22(20,21)14-9-10-3-1-2-4-13(10)17(14)15(18)19/h1-9H,(H,18,19)
InChIKeyHNOSWKGSKDCRCV-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.14
Rot. Bonds2

About 2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid

2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid (PubChem CID 22220125) has the molecular formula C15H10FNO4S and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid
PubChem CID22220125
Molecular FormulaC15H10FNO4S
Molecular Weight319.31 g/mol
Exact Mass319.03
IUPAC Name2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid
SMILESO=C(O)n1c(S(=O)(=O)c2ccc(F)cc2)cc2ccccc21
InChIInChI=1S/C15H10FNO4S/c16-11-5-7-12(8-6-11)22(20,21)14-9-10-3-1-2-4-13(10)17(14)15(18)19/h1-9H,(H,18,19)
InChIKeyHNOSWKGSKDCRCV-UHFFFAOYSA-N
XLogP3.14
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid (CID 22220125) is 2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid is O=C(O)n1c(S(=O)(=O)c2ccc(F)cc2)cc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid?
The InChIKey is HNOSWKGSKDCRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO4S/c16-11-5-7-12(8-6-11)22(20,21)14-9-10-3-1-2-4-13(10)17(14)15(18)19/h1-9H,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid?
2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid has a molecular weight of 319.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonylindole-1-carboxylic acid is sourced from PubChem (CID 22220125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).