1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one

C24H20FN3O4S — CID 21224887

IUPAC1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
SMILESO=C(c1cccc(F)c1)N1CCc2cc(S(=O)(=O)N3CC(c4ccccc4)NC3=O)ccc21
InChIInChI=1S/C24H20FN3O4S/c25-19-8-4-7-18(13-19)23(29)27-12-11-17-14-20(9-10-22(17)27)33(31,32)28-15-21(26-24(28)30)16-5-2-1-3-6-16/h1-10,13-14,21H,11-12,15H2,(H,26,30)
InChIKeyLASNZZRXIAJFED-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.48
Rot. Bonds4

About 1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one

1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one (PubChem CID 21224887) has the molecular formula C24H20FN3O4S and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
PubChem CID21224887
Molecular FormulaC24H20FN3O4S
Molecular Weight465.51 g/mol
Exact Mass465.12
IUPAC Name1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
SMILESO=C(c1cccc(F)c1)N1CCc2cc(S(=O)(=O)N3CC(c4ccccc4)NC3=O)ccc21
InChIInChI=1S/C24H20FN3O4S/c25-19-8-4-7-18(13-19)23(29)27-12-11-17-14-20(9-10-22(17)27)33(31,32)28-15-21(26-24(28)30)16-5-2-1-3-6-16/h1-10,13-14,21H,11-12,15H2,(H,26,30)
InChIKeyLASNZZRXIAJFED-UHFFFAOYSA-N
XLogP3.48
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
CID 21224949
(4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
CID 10322106
(4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
CID 11453684
(4S)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one;[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]azanium;chloride
CID 139057948
N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 140997043
2-amino-N-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]-3-phenylpropanamide
CID 21311000
(2S)-2-amino-4-methylsulfanyl-N-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]butanamide
CID 86289001
tert-butyl N-[1-oxo-1-[4-[5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carbonyl]anilino]propan-2-yl]carbamate
CID 21224927
4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one
CID 174322379
propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 53376888
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-(3-fluorobenzoyl)imidazolidin-2-one
CID 70289917
(4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[1-[3,5-dimethyl-2-[2-methyl-4-oxo-4-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]anilino]butan-2-yl]phenoxy]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 46233896

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one?
The IUPAC name of 1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one (CID 21224887) is 1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for 1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one is O=C(c1cccc(F)c1)N1CCc2cc(S(=O)(=O)N3CC(c4ccccc4)NC3=O)ccc21.
What is the InChIKey of 1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one?
The InChIKey is LASNZZRXIAJFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S/c25-19-8-4-7-18(13-19)23(29)27-12-11-17-14-20(9-10-22(17)27)33(31,32)28-15-21(26-24(28)30)16-5-2-1-3-6-16/h1-10,13-14,21H,11-12,15H2,(H,26,30).
What are the key properties of 1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one?
1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one has a molecular weight of 465.51 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 21224887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).