2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone

C23H16ClFN2O4S — CID 147901803

IUPAC2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)n2ncc3ccc(CC(=O)c4c(F)cccc4Cl)cc32)cc1
InChIInChI=1S/C23H16ClFN2O4S/c1-14(28)16-7-9-18(10-8-16)32(30,31)27-21-11-15(5-6-17(21)13-26-27)12-22(29)23-19(24)3-2-4-20(23)25/h2-11,13H,12H2,1H3
InChIKeyIEKJUTDOEJDSPQ-UHFFFAOYSA-N
MW470.91 g/mol
LogP4.69
Rot. Bonds6

About 2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone

2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 147901803) has the molecular formula C23H16ClFN2O4S and a molecular weight of 470.91 g/mol. Its IUPAC name is 2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone
PubChem CID147901803
Molecular FormulaC23H16ClFN2O4S
Molecular Weight470.91 g/mol
Exact Mass470.05
IUPAC Name2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)n2ncc3ccc(CC(=O)c4c(F)cccc4Cl)cc32)cc1
InChIInChI=1S/C23H16ClFN2O4S/c1-14(28)16-7-9-18(10-8-16)32(30,31)27-21-11-15(5-6-17(21)13-26-27)12-22(29)23-19(24)3-2-4-20(23)25/h2-11,13H,12H2,1H3
InChIKeyIEKJUTDOEJDSPQ-UHFFFAOYSA-N
XLogP4.69
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.91
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone 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 2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone (CID 147901803) is 2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone is CC(=O)c1ccc(S(=O)(=O)n2ncc3ccc(CC(=O)c4c(F)cccc4Cl)cc32)cc1.
What is the InChIKey of 2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is IEKJUTDOEJDSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O4S/c1-14(28)16-7-9-18(10-8-16)32(30,31)27-21-11-15(5-6-17(21)13-26-27)12-22(29)23-19(24)3-2-4-20(23)25/h2-11,13H,12H2,1H3.
What are the key properties of 2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone?
2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone has a molecular weight of 470.91 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetylphenyl)sulfonylindazol-6-yl]-1-(2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 147901803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).