1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone

C21H12Cl2F2N2O3S — CID 147841296

IUPAC1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone
SMILESO=C(Cc1ccc2cnn(S(=O)(=O)c3cccc(Cl)c3F)c2c1)c1c(F)cccc1Cl
InChIInChI=1S/C21H12Cl2F2N2O3S/c22-14-3-1-5-16(24)20(14)18(28)10-12-7-8-13-11-26-27(17(13)9-12)31(29,30)19-6-2-4-15(23)21(19)25/h1-9,11H,10H2
InChIKeyHTAGYCZNKBMESI-UHFFFAOYSA-N
MW481.31 g/mol
LogP5.28
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone

1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone (PubChem CID 147841296) has the molecular formula C21H12Cl2F2N2O3S and a molecular weight of 481.31 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone
PubChem CID147841296
Molecular FormulaC21H12Cl2F2N2O3S
Molecular Weight481.31 g/mol
Exact Mass479.99
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone
SMILESO=C(Cc1ccc2cnn(S(=O)(=O)c3cccc(Cl)c3F)c2c1)c1c(F)cccc1Cl
InChIInChI=1S/C21H12Cl2F2N2O3S/c22-14-3-1-5-16(24)20(14)18(28)10-12-7-8-13-11-26-27(17(13)9-12)31(29,30)19-6-2-4-15(23)21(19)25/h1-9,11H,10H2
InChIKeyHTAGYCZNKBMESI-UHFFFAOYSA-N
XLogP5.28
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.31
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone (CID 147841296) is 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone is O=C(Cc1ccc2cnn(S(=O)(=O)c3cccc(Cl)c3F)c2c1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone?
The InChIKey is HTAGYCZNKBMESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2F2N2O3S/c22-14-3-1-5-16(24)20(14)18(28)10-12-7-8-13-11-26-27(17(13)9-12)31(29,30)19-6-2-4-15(23)21(19)25/h1-9,11H,10H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone?
1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone has a molecular weight of 481.31 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chloro-2-fluorophenyl)sulfonylindazol-6-yl]ethanone is sourced from PubChem (CID 147841296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).