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

C21H13Cl2FN2O3S — CID 146727387

IUPAC1-(2-chloro-6-fluorophenyl)-2-[1-(3-chlorophenyl)sulfonylindazol-6-yl]ethanone
SMILESO=C(Cc1ccc2cnn(S(=O)(=O)c3cccc(Cl)c3)c2c1)c1c(F)cccc1Cl
InChIInChI=1S/C21H13Cl2FN2O3S/c22-15-3-1-4-16(11-15)30(28,29)26-19-9-13(7-8-14(19)12-25-26)10-20(27)21-17(23)5-2-6-18(21)24/h1-9,11-12H,10H2
InChIKeyRGQQEDRSKRTVSO-UHFFFAOYSA-N
MW463.32 g/mol
LogP5.14
Rot. Bonds5

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

1-(2-chloro-6-fluorophenyl)-2-[1-(3-chlorophenyl)sulfonylindazol-6-yl]ethanone (PubChem CID 146727387) has the molecular formula C21H13Cl2FN2O3S and a molecular weight of 463.32 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chlorophenyl)sulfonylindazol-6-yl]ethanone.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-[1-(3-chlorophenyl)sulfonylindazol-6-yl]ethanone
PubChem CID146727387
Molecular FormulaC21H13Cl2FN2O3S
Molecular Weight463.32 g/mol
Exact Mass462.00
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-[1-(3-chlorophenyl)sulfonylindazol-6-yl]ethanone
SMILESO=C(Cc1ccc2cnn(S(=O)(=O)c3cccc(Cl)c3)c2c1)c1c(F)cccc1Cl
InChIInChI=1S/C21H13Cl2FN2O3S/c22-15-3-1-4-16(11-15)30(28,29)26-19-9-13(7-8-14(19)12-25-26)10-20(27)21-17(23)5-2-6-18(21)24/h1-9,11-12H,10H2
InChIKeyRGQQEDRSKRTVSO-UHFFFAOYSA-N
XLogP5.14
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 55.14
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-chlorophenyl)sulfonylindazol-6-yl]ethanone?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chlorophenyl)sulfonylindazol-6-yl]ethanone (CID 146727387) is 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chlorophenyl)sulfonylindazol-6-yl]ethanone.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chlorophenyl)sulfonylindazol-6-yl]ethanone?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chlorophenyl)sulfonylindazol-6-yl]ethanone is O=C(Cc1ccc2cnn(S(=O)(=O)c3cccc(Cl)c3)c2c1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chlorophenyl)sulfonylindazol-6-yl]ethanone?
The InChIKey is RGQQEDRSKRTVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2FN2O3S/c22-15-3-1-4-16(11-15)30(28,29)26-19-9-13(7-8-14(19)12-25-26)10-20(27)21-17(23)5-2-6-18(21)24/h1-9,11-12H,10H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-[1-(3-chlorophenyl)sulfonylindazol-6-yl]ethanone?
1-(2-chloro-6-fluorophenyl)-2-[1-(3-chlorophenyl)sulfonylindazol-6-yl]ethanone has a molecular weight of 463.32 g/mol, XLogP of 5.14, 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-chlorophenyl)sulfonylindazol-6-yl]ethanone is sourced from PubChem (CID 146727387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).