5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide

C25H22N2O3S — CID 11464583

IUPAC5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCc3ccccc3)ccc1-2
InChIInChI=1S/C25H22N2O3S/c28-25-22-11-5-4-10-21(22)23-16-18-15-19(12-13-20(18)24(23)27-25)31(29,30)26-14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,15,26H,6,9,14,16H2,(H,27,28)
InChIKeyZTYWVCHIDFIIME-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.01
Rot. Bonds6

About 5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide

5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide (PubChem CID 11464583) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide.

Molecular Properties

Compound Name5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
PubChem CID11464583
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCc3ccccc3)ccc1-2
InChIInChI=1S/C25H22N2O3S/c28-25-22-11-5-4-10-21(22)23-16-18-15-19(12-13-20(18)24(23)27-25)31(29,30)26-14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,15,26H,6,9,14,16H2,(H,27,28)
InChIKeyZTYWVCHIDFIIME-UHFFFAOYSA-N
XLogP4.01
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The IUPAC name of 5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide (CID 11464583) is 5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide.
What is the SMILES notation for 5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The canonical SMILES for 5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide is O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCc3ccccc3)ccc1-2.
What is the InChIKey of 5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The InChIKey is ZTYWVCHIDFIIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c28-25-22-11-5-4-10-21(22)23-16-18-15-19(12-13-20(18)24(23)27-25)31(29,30)26-14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,15,26H,6,9,14,16H2,(H,27,28).
What are the key properties of 5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide has a molecular weight of 430.53 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3-phenylpropyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide is sourced from PubChem (CID 11464583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).