8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

C19H12FN3O3S — CID 11773441

IUPAC8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)n3ccnc3)c(F)cc1-2
InChIInChI=1S/C19H12FN3O3S/c20-16-9-14-11(8-17(16)27(25,26)23-6-5-21-10-23)7-15-12-3-1-2-4-13(12)19(24)22-18(14)15/h1-6,8-10H,7H2,(H,22,24)
InChIKeyLLBWIKDWKSJTFU-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.67
Rot. Bonds2

About 8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 11773441) has the molecular formula C19H12FN3O3S and a molecular weight of 381.39 g/mol. Its IUPAC name is 8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
PubChem CID11773441
Molecular FormulaC19H12FN3O3S
Molecular Weight381.39 g/mol
Exact Mass381.06
IUPAC Name8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)n3ccnc3)c(F)cc1-2
InChIInChI=1S/C19H12FN3O3S/c20-16-9-14-11(8-17(16)27(25,26)23-6-5-21-10-23)7-15-12-3-1-2-4-13(12)19(24)22-18(14)15/h1-6,8-10H,7H2,(H,22,24)
InChIKeyLLBWIKDWKSJTFU-UHFFFAOYSA-N
XLogP2.67
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (CID 11773441) is 8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)n3ccnc3)c(F)cc1-2.
What is the InChIKey of 8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is LLBWIKDWKSJTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O3S/c20-16-9-14-11(8-17(16)27(25,26)23-6-5-21-10-23)7-15-12-3-1-2-4-13(12)19(24)22-18(14)15/h1-6,8-10H,7H2,(H,22,24).
What are the key properties of 8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 381.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9-imidazol-1-ylsulfonyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 11773441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).