8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide

C20H18FN3O4S — CID 25190933

IUPAC8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NN3CCOCC3)c(F)cc1-2
InChIInChI=1S/C20H18FN3O4S/c21-17-11-15-12(10-18(17)29(26,27)23-24-5-7-28-8-6-24)9-16-13-3-1-2-4-14(13)20(25)22-19(15)16/h1-4,10-11,23H,5-9H2,(H,22,25)
InChIKeyWOMLRJQZCAFUSQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP1.76
Rot. Bonds3

About 8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide

8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide (PubChem CID 25190933) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is 8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
PubChem CID25190933
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC Name8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NN3CCOCC3)c(F)cc1-2
InChIInChI=1S/C20H18FN3O4S/c21-17-11-15-12(10-18(17)29(26,27)23-24-5-7-28-8-6-24)9-16-13-3-1-2-4-14(13)20(25)22-19(15)16/h1-4,10-11,23H,5-9H2,(H,22,25)
InChIKeyWOMLRJQZCAFUSQ-UHFFFAOYSA-N
XLogP1.76
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The IUPAC name of 8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide (CID 25190933) is 8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide.
What is the SMILES notation for 8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The canonical SMILES for 8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide is O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NN3CCOCC3)c(F)cc1-2.
What is the InChIKey of 8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The InChIKey is WOMLRJQZCAFUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c21-17-11-15-12(10-18(17)29(26,27)23-24-5-7-28-8-6-24)9-16-13-3-1-2-4-14(13)20(25)22-19(15)16/h1-4,10-11,23H,5-9H2,(H,22,25).
What are the key properties of 8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide has a molecular weight of 415.45 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-morpholin-4-yl-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide is sourced from PubChem (CID 25190933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).