1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one

C20H16N2O5S — CID 2981828

IUPAC1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one
SMILESO=C(c1ccco1)N1C(=O)c2cccc3c(S(=O)(=O)N4CCCC4)ccc1c23
InChIInChI=1S/C20H16N2O5S/c23-19-14-6-3-5-13-17(28(25,26)21-10-1-2-11-21)9-8-15(18(13)14)22(19)20(24)16-7-4-12-27-16/h3-9,12H,1-2,10-11H2
InChIKeyHVQXAMAIYKOLMM-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.02
Rot. Bonds3

About 1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one

1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one (PubChem CID 2981828) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one
PubChem CID2981828
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC Name1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one
SMILESO=C(c1ccco1)N1C(=O)c2cccc3c(S(=O)(=O)N4CCCC4)ccc1c23
InChIInChI=1S/C20H16N2O5S/c23-19-14-6-3-5-13-17(28(25,26)21-10-1-2-11-21)9-8-15(18(13)14)22(19)20(24)16-7-4-12-27-16/h3-9,12H,1-2,10-11H2
InChIKeyHVQXAMAIYKOLMM-UHFFFAOYSA-N
XLogP3.02
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one?
The IUPAC name of 1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one (CID 2981828) is 1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one.
What is the SMILES notation for 1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one?
The canonical SMILES for 1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one is O=C(c1ccco1)N1C(=O)c2cccc3c(S(=O)(=O)N4CCCC4)ccc1c23.
What is the InChIKey of 1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one?
The InChIKey is HVQXAMAIYKOLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c23-19-14-6-3-5-13-17(28(25,26)21-10-1-2-11-21)9-8-15(18(13)14)22(19)20(24)16-7-4-12-27-16/h3-9,12H,1-2,10-11H2.
What are the key properties of 1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one?
1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one has a molecular weight of 396.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-6-pyrrolidin-1-ylsulfonylbenzo[cd]indol-2-one is sourced from PubChem (CID 2981828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).