[6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide

C22H20FNO4S — CID 18188570

IUPAC[6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C22H20FNO4S/c1-27-12-16-5-3-7-20-21(16)18-9-8-14(13-29(24,25)26)10-19(18)22(28-20)15-4-2-6-17(23)11-15/h2-11,22H,12-13H2,1H3,(H2,24,25,26)
InChIKeyOFAPEXAJDABLQN-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.91
Rot. Bonds5

About [6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188570) has the molecular formula C22H20FNO4S and a molecular weight of 413.47 g/mol. Its IUPAC name is [6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188570
Molecular FormulaC22H20FNO4S
Molecular Weight413.47 g/mol
Exact Mass413.11
IUPAC Name[6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C22H20FNO4S/c1-27-12-16-5-3-7-20-21(16)18-9-8-14(13-29(24,25)26)10-19(18)22(28-20)15-4-2-6-17(23)11-15/h2-11,22H,12-13H2,1H3,(H2,24,25,26)
InChIKeyOFAPEXAJDABLQN-UHFFFAOYSA-N
XLogP3.91
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188570) is [6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is COCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2.
What is the InChIKey of [6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is OFAPEXAJDABLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO4S/c1-27-12-16-5-3-7-20-21(16)18-9-8-14(13-29(24,25)26)10-19(18)22(28-20)15-4-2-6-17(23)11-15/h2-11,22H,12-13H2,1H3,(H2,24,25,26).
What are the key properties of [6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 413.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).