4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid

C19H18FNO5S — CID 14071510

IUPAC4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C19H18FNO5S/c20-15-3-5-17(6-4-15)27(25,26)21-16-10-12-1-2-13(9-14(12)11-16)18(22)7-8-19(23)24/h1-6,9,16,21H,7-8,10-11H2,(H,23,24)
InChIKeyFSZYJNQMLQDVRW-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.32
Rot. Bonds7

About 4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid

4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid (PubChem CID 14071510) has the molecular formula C19H18FNO5S and a molecular weight of 391.42 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
PubChem CID14071510
Molecular FormulaC19H18FNO5S
Molecular Weight391.42 g/mol
Exact Mass391.09
IUPAC Name4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C19H18FNO5S/c20-15-3-5-17(6-4-15)27(25,26)21-16-10-12-1-2-13(9-14(12)11-16)18(22)7-8-19(23)24/h1-6,9,16,21H,7-8,10-11H2,(H,23,24)
InChIKeyFSZYJNQMLQDVRW-UHFFFAOYSA-N
XLogP2.32
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid (CID 14071510) is 4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid?
The InChIKey is FSZYJNQMLQDVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5S/c20-15-3-5-17(6-4-15)27(25,26)21-16-10-12-1-2-13(9-14(12)11-16)18(22)7-8-19(23)24/h1-6,9,16,21H,7-8,10-11H2,(H,23,24).
What are the key properties of 4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid?
4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid has a molecular weight of 391.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid is sourced from PubChem (CID 14071510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).