4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide

C24H19FN2O4S — CID 58975029

IUPAC4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
SMILESCC(=O)c1cn(S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c2ccccc12
InChIInChI=1S/C24H19FN2O4S/c1-16(28)22-15-27(23-5-3-2-4-21(22)23)32(30,31)20-12-8-18(9-13-20)24(29)26-14-17-6-10-19(25)11-7-17/h2-13,15H,14H2,1H3,(H,26,29)
InChIKeyUVYMYFMNUPDGPQ-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.15
Rot. Bonds6

About 4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide

4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 58975029) has the molecular formula C24H19FN2O4S and a molecular weight of 450.49 g/mol. Its IUPAC name is 4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID58975029
Molecular FormulaC24H19FN2O4S
Molecular Weight450.49 g/mol
Exact Mass450.10
IUPAC Name4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
SMILESCC(=O)c1cn(S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c2ccccc12
InChIInChI=1S/C24H19FN2O4S/c1-16(28)22-15-27(23-5-3-2-4-21(22)23)32(30,31)20-12-8-18(9-13-20)24(29)26-14-17-6-10-19(25)11-7-17/h2-13,15H,14H2,1H3,(H,26,29)
InChIKeyUVYMYFMNUPDGPQ-UHFFFAOYSA-N
XLogP4.15
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide
CID 58975171
N-[(4-fluorophenyl)methyl]-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]sulfonylbenzamide
CID 58975028
4-[[[1-(benzenesulfonyl)indole-3-carbonyl]amino]methyl]benzoic acid
CID 174661053
N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide
CID 58975151
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 7925561
N-[1-(dimethylamino)ethyl]-1-(4-fluorophenyl)sulfonyl-N-methylindole-3-carboxamide
CID 66852503
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58855813
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 58975118
N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide
CID 146000657
3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide
CID 171538005
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 4810896

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide (CID 58975029) is 4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide is CC(=O)c1cn(S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c2ccccc12.
What is the InChIKey of 4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is UVYMYFMNUPDGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4S/c1-16(28)22-15-27(23-5-3-2-4-21(22)23)32(30,31)20-12-8-18(9-13-20)24(29)26-14-17-6-10-19(25)11-7-17/h2-13,15H,14H2,1H3,(H,26,29).
What are the key properties of 4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide?
4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 450.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 58975029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).