3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one

C17H12FNO3S — CID 142413281

IUPAC3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one
SMILESO=C1c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2CC1F
InChIInChI=1S/C17H12FNO3S/c18-15-10-14-12-8-9-19(16(12)7-6-13(14)17(15)20)23(21,22)11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyZOWZEKBQHIDJEN-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.96
Rot. Bonds2

About 3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one

3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one (PubChem CID 142413281) has the molecular formula C17H12FNO3S and a molecular weight of 329.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one
PubChem CID142413281
Molecular FormulaC17H12FNO3S
Molecular Weight329.35 g/mol
Exact Mass329.05
IUPAC Name3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one
SMILESO=C1c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2CC1F
InChIInChI=1S/C17H12FNO3S/c18-15-10-14-12-8-9-19(16(12)7-6-13(14)17(15)20)23(21,22)11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyZOWZEKBQHIDJEN-UHFFFAOYSA-N
XLogP2.96
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one?
The IUPAC name of 3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one (CID 142413281) is 3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one.
What is the SMILES notation for 3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one?
The canonical SMILES for 3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one is O=C1c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2CC1F.
What is the InChIKey of 3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one?
The InChIKey is ZOWZEKBQHIDJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3S/c18-15-10-14-12-8-9-19(16(12)7-6-13(14)17(15)20)23(21,22)11-4-2-1-3-5-11/h1-9,15H,10H2.
What are the key properties of 3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one?
3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one has a molecular weight of 329.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-fluoro-7,8-dihydrocyclopenta[e]indol-6-one is sourced from PubChem (CID 142413281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).