3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide

C24H19FN4O2S — CID 139505966

IUPAC3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)c1cccc(S(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H19FN4O2S/c25-19-10-8-16(9-11-19)21-15-23(28-27-21)26-24(30)18-5-3-6-20(14-18)32(31)29-13-12-17-4-1-2-7-22(17)29/h1-11,14-15H,12-13H2,(H2,26,27,28,30)
InChIKeyZQSHBVGYRKFEHP-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.55
Rot. Bonds5

About 3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide

3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 139505966) has the molecular formula C24H19FN4O2S and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID139505966
Molecular FormulaC24H19FN4O2S
Molecular Weight446.51 g/mol
Exact Mass446.12
IUPAC Name3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)c1cccc(S(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H19FN4O2S/c25-19-10-8-16(9-11-19)21-15-23(28-27-21)26-24(30)18-5-3-6-20(14-18)32(31)29-13-12-17-4-1-2-7-22(17)29/h1-11,14-15H,12-13H2,(H2,26,27,28,30)
InChIKeyZQSHBVGYRKFEHP-UHFFFAOYSA-N
XLogP4.55
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide (CID 139505966) is 3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide is O=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)c1cccc(S(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is ZQSHBVGYRKFEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2S/c25-19-10-8-16(9-11-19)21-15-23(28-27-21)26-24(30)18-5-3-6-20(14-18)32(31)29-13-12-17-4-1-2-7-22(17)29/h1-11,14-15H,12-13H2,(H2,26,27,28,30).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide?
3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 139505966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).