4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one

C25H20F3N3O4S — CID 21224949

IUPAC4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCc2cc(S(=O)(=O)N3CC(c4ccccc4)NC3=O)ccc21
InChIInChI=1S/C25H20F3N3O4S/c26-25(27,28)19-8-4-7-18(13-19)23(32)30-12-11-17-14-20(9-10-22(17)30)36(34,35)31-15-21(29-24(31)33)16-5-2-1-3-6-16/h1-10,13-14,21H,11-12,15H2,(H,29,33)
InChIKeyKYODUDJPJNHJSD-UHFFFAOYSA-N
MW515.51 g/mol
LogP4.36
Rot. Bonds4

About 4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one

4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one (PubChem CID 21224949) has the molecular formula C25H20F3N3O4S and a molecular weight of 515.51 g/mol. Its IUPAC name is 4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
PubChem CID21224949
Molecular FormulaC25H20F3N3O4S
Molecular Weight515.51 g/mol
Exact Mass515.11
IUPAC Name4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCc2cc(S(=O)(=O)N3CC(c4ccccc4)NC3=O)ccc21
InChIInChI=1S/C25H20F3N3O4S/c26-25(27,28)19-8-4-7-18(13-19)23(32)30-12-11-17-14-20(9-10-22(17)30)36(34,35)31-15-21(29-24(31)33)16-5-2-1-3-6-16/h1-10,13-14,21H,11-12,15H2,(H,29,33)
InChIKeyKYODUDJPJNHJSD-UHFFFAOYSA-N
XLogP4.36
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
CID 21224887
(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
4-phenyl-1-[1-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]prop-2-enylsulfonyl]imidazolidin-2-one
CID 174322379
(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
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
(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
propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 53376888
1-benzoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247827
4-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 31845700

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one?
The IUPAC name of 4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one (CID 21224949) is 4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one.
What is the SMILES notation for 4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one?
The canonical SMILES for 4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one is O=C(c1cccc(C(F)(F)F)c1)N1CCc2cc(S(=O)(=O)N3CC(c4ccccc4)NC3=O)ccc21.
What is the InChIKey of 4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one?
The InChIKey is KYODUDJPJNHJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O4S/c26-25(27,28)19-8-4-7-18(13-19)23(32)30-12-11-17-14-20(9-10-22(17)30)36(34,35)31-15-21(29-24(31)33)16-5-2-1-3-6-16/h1-10,13-14,21H,11-12,15H2,(H,29,33).
What are the key properties of 4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one?
4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one has a molecular weight of 515.51 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one is sourced from PubChem (CID 21224949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).