2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid

C22H18FNO5S — CID 18365439

IUPAC2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)Cc2ccccc2C1
InChIInChI=1S/C22H18FNO5S/c23-17-5-7-18(8-6-17)29-19-9-11-20(12-10-19)30(27,28)24-22(21(25)26)13-15-3-1-2-4-16(15)14-22/h1-12,24H,13-14H2,(H,25,26)
InChIKeyKWKFVOAGXQOIIE-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.52
Rot. Bonds6

About 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid

2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 18365439) has the molecular formula C22H18FNO5S and a molecular weight of 427.45 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID18365439
Molecular FormulaC22H18FNO5S
Molecular Weight427.45 g/mol
Exact Mass427.09
IUPAC Name2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)Cc2ccccc2C1
InChIInChI=1S/C22H18FNO5S/c23-17-5-7-18(8-6-17)29-19-9-11-20(12-10-19)30(27,28)24-22(21(25)26)13-15-3-1-2-4-16(15)14-22/h1-12,24H,13-14H2,(H,25,26)
InChIKeyKWKFVOAGXQOIIE-UHFFFAOYSA-N
XLogP3.52
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid (CID 18365439) is 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)Cc2ccccc2C1.
What is the InChIKey of 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is KWKFVOAGXQOIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO5S/c23-17-5-7-18(8-6-17)29-19-9-11-20(12-10-19)30(27,28)24-22(21(25)26)13-15-3-1-2-4-16(15)14-22/h1-12,24H,13-14H2,(H,25,26).
What are the key properties of 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid?
2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 427.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 18365439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).