[6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C21H18FNO5S — CID 18188529

IUPAC[6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1c(O)ccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C21H18FNO5S/c1-27-21-17(24)7-8-18-19(21)15-6-5-12(11-29(23,25)26)9-16(15)20(28-18)13-3-2-4-14(22)10-13/h2-10,20,24H,11H2,1H3,(H2,23,25,26)
InChIKeyYUZLIKJAXLZADK-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.48
Rot. Bonds4

About [6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188529) has the molecular formula C21H18FNO5S and a molecular weight of 415.44 g/mol. Its IUPAC name is [6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188529
Molecular FormulaC21H18FNO5S
Molecular Weight415.44 g/mol
Exact Mass415.09
IUPAC Name[6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1c(O)ccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C21H18FNO5S/c1-27-21-17(24)7-8-18-19(21)15-6-5-12(11-29(23,25)26)9-16(15)20(28-18)13-3-2-4-14(22)10-13/h2-10,20,24H,11H2,1H3,(H2,23,25,26)
InChIKeyYUZLIKJAXLZADK-UHFFFAOYSA-N
XLogP3.48
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188529) is [6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1c(O)ccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2.
What is the InChIKey of [6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is YUZLIKJAXLZADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO5S/c1-27-21-17(24)7-8-18-19(21)15-6-5-12(11-29(23,25)26)9-16(15)20(28-18)13-3-2-4-14(22)10-13/h2-10,20,24H,11H2,1H3,(H2,23,25,26).
What are the key properties of [6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 415.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).