4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid

C24H20FNO5S — CID 166559016

IUPAC4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid
SMILESCC(C)c1c(S(=O)(=O)c2ccc(C(=O)O)cc2)c2c(O)cccc2n1-c1ccc(F)cc1
InChIInChI=1S/C24H20FNO5S/c1-14(2)22-23(32(30,31)18-12-6-15(7-13-18)24(28)29)21-19(4-3-5-20(21)27)26(22)17-10-8-16(25)9-11-17/h3-14,27H,1-2H3,(H,28,29)
InChIKeyZQZLLSSRNNOGAX-UHFFFAOYSA-N
MW453.49 g/mol
LogP5.13
Rot. Bonds5

About 4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid

4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid (PubChem CID 166559016) has the molecular formula C24H20FNO5S and a molecular weight of 453.49 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid
PubChem CID166559016
Molecular FormulaC24H20FNO5S
Molecular Weight453.49 g/mol
Exact Mass453.10
IUPAC Name4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid
SMILESCC(C)c1c(S(=O)(=O)c2ccc(C(=O)O)cc2)c2c(O)cccc2n1-c1ccc(F)cc1
InChIInChI=1S/C24H20FNO5S/c1-14(2)22-23(32(30,31)18-12-6-15(7-13-18)24(28)29)21-19(4-3-5-20(21)27)26(22)17-10-8-16(25)9-11-17/h3-14,27H,1-2H3,(H,28,29)
InChIKeyZQZLLSSRNNOGAX-UHFFFAOYSA-N
XLogP5.13
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.49
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-[1-(4-fluoro-3-methylphenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]benzoic acid
CID 156878493
4-[2-(1,1-difluoro-2-methoxyethyl)-1-(4-fluorophenyl)-4-hydroxyindol-3-yl]benzoic acid
CID 156879203
4-[2-(1-ethylsulfonylpiperidin-3-yl)-1-(4-fluorophenyl)-4-hydroxyindol-3-yl]benzoic acid
CID 156878689
4-[2-(1-acetylpyrrolidin-3-yl)-1-(4-fluorophenyl)-4-hydroxyindol-3-yl]benzoic acid
CID 156879403
tert-butyl 4-[1-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylindol-3-yl]benzoate
CID 156879021
2-[1-(4-fluorophenyl)-4-hydroxy-2-[1-(oxolan-3-yl)ethyl]indol-3-yl]benzoic acid
CID 175876418
ethane;4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]-3-methylbenzoic acid
CID 156878639
4-[2-(1,1-difluoro-2-methoxyethyl)-1-(4-fluorophenyl)-4-phenylmethoxyindol-3-yl]benzoic acid
CID 156878621
4-(4-carboxyphenyl)sulfonylbenzoic acid;copper
CID 67782249
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-methylbenzoic acid
CID 68532913
2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonyl-3-methylbenzoic acid
CID 68532916
4-[2-(2-ethoxy-1,1-difluoro-2-oxoethyl)-1-(4-fluorophenyl)-4-phenylmethoxyindol-3-yl]benzoic acid
CID 156878382

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid?
The IUPAC name of 4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid (CID 166559016) is 4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid?
The canonical SMILES for 4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid is CC(C)c1c(S(=O)(=O)c2ccc(C(=O)O)cc2)c2c(O)cccc2n1-c1ccc(F)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid?
The InChIKey is ZQZLLSSRNNOGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO5S/c1-14(2)22-23(32(30,31)18-12-6-15(7-13-18)24(28)29)21-19(4-3-5-20(21)27)26(22)17-10-8-16(25)9-11-17/h3-14,27H,1-2H3,(H,28,29).
What are the key properties of 4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid?
4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid has a molecular weight of 453.49 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-4-hydroxy-2-propan-2-ylindol-3-yl]sulfonylbenzoic acid is sourced from PubChem (CID 166559016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).