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

C24H19FN4O3S — CID 66762821

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H19FN4O3S/c25-19-10-8-16(9-11-19)21-15-23(28-27-21)26-24(30)18-5-3-6-20(14-18)33(31,32)29-13-12-17-4-1-2-7-22(17)29/h1-11,14-15H,12-13H2,(H2,26,27,28,30)
InChIKeyBEOLFXUTPOQLPG-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.22
Rot. Bonds5

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

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 66762821) has the molecular formula C24H19FN4O3S and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID66762821
Molecular FormulaC24H19FN4O3S
Molecular Weight462.51 g/mol
Exact Mass462.12
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H19FN4O3S/c25-19-10-8-16(9-11-19)21-15-23(28-27-21)26-24(30)18-5-3-6-20(14-18)33(31,32)29-13-12-17-4-1-2-7-22(17)29/h1-11,14-15H,12-13H2,(H2,26,27,28,30)
InChIKeyBEOLFXUTPOQLPG-UHFFFAOYSA-N
XLogP4.22
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719497
3-(2,3-dihydroindol-1-ylsulfinyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
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3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009183
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
CID 25102342
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 2447288
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 24980754
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide (CID 66762821) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide is O=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is BEOLFXUTPOQLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3S/c25-19-10-8-16(9-11-19)21-15-23(28-27-21)26-24(30)18-5-3-6-20(14-18)33(31,32)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-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 462.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 66762821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).