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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Related Compounds

cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid
CID 70218691
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369
1-[[4-(2-methylphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 44669131
1-carbamoyl-3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-8-oxabicyclo[3.2.1]octane-3-carboxylic acid
CID 57490385
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
4-[[4-[1-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]oxane-4-carboxylic acid
CID 18703979
1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
CID 110446070
4-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide;3-[[4-(4-fluorophenoxy)phenyl]sulfonyl-[1-(hydroxycarbamoyl)cyclobutyl]amino]propanoic acid
CID 121414951
N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 66907690
3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888281
1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43341837

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).