6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one

C24H16FN3O3S — CID 118382311

IUPAC6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one
SMILESO=C1CCc2nc3cc(-c4cn(S(=O)(=O)c5ccccc5)c5cc(F)ccc45)ccc3n21
InChIInChI=1S/C24H16FN3O3S/c25-16-7-8-18-19(14-27(22(18)13-16)32(30,31)17-4-2-1-3-5-17)15-6-9-21-20(12-15)26-23-10-11-24(29)28(21)23/h1-9,12-14H,10-11H2
InChIKeyJVHOKUNXNIWLAE-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.62
Rot. Bonds3

About 6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one

6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one (PubChem CID 118382311) has the molecular formula C24H16FN3O3S and a molecular weight of 445.48 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one
PubChem CID118382311
Molecular FormulaC24H16FN3O3S
Molecular Weight445.48 g/mol
Exact Mass445.09
IUPAC Name6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one
SMILESO=C1CCc2nc3cc(-c4cn(S(=O)(=O)c5ccccc5)c5cc(F)ccc45)ccc3n21
InChIInChI=1S/C24H16FN3O3S/c25-16-7-8-18-19(14-27(22(18)13-16)32(30,31)17-4-2-1-3-5-17)15-6-9-21-20(12-15)26-23-10-11-24(29)28(21)23/h1-9,12-14H,10-11H2
InChIKeyJVHOKUNXNIWLAE-UHFFFAOYSA-N
XLogP4.62
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one?
The IUPAC name of 6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one (CID 118382311) is 6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one.
What is the SMILES notation for 6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one?
The canonical SMILES for 6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one is O=C1CCc2nc3cc(-c4cn(S(=O)(=O)c5ccccc5)c5cc(F)ccc45)ccc3n21.
What is the InChIKey of 6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one?
The InChIKey is JVHOKUNXNIWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O3S/c25-16-7-8-18-19(14-27(22(18)13-16)32(30,31)17-4-2-1-3-5-17)15-6-9-21-20(12-15)26-23-10-11-24(29)28(21)23/h1-9,12-14H,10-11H2.
What are the key properties of 6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one?
6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one has a molecular weight of 445.48 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-2,3-dihydropyrrolo[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 118382311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).