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

C22H20FNO5S — CID 18188569

IUPAC[2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc(C2Oc3ccc(F)c(OC)c3-c3ccc(CS(N)(=O)=O)cc32)c1
InChIInChI=1S/C22H20FNO5S/c1-27-15-5-3-4-14(11-15)21-17-10-13(12-30(24,25)26)6-7-16(17)20-19(29-21)9-8-18(23)22(20)28-2/h3-11,21H,12H2,1-2H3,(H2,24,25,26)
InChIKeyAIUJXNHNYUSZAZ-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.78
Rot. Bonds5

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

[2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188569) has the molecular formula C22H20FNO5S and a molecular weight of 429.47 g/mol. Its IUPAC name is [2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188569
Molecular FormulaC22H20FNO5S
Molecular Weight429.47 g/mol
Exact Mass429.10
IUPAC Name[2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc(C2Oc3ccc(F)c(OC)c3-c3ccc(CS(N)(=O)=O)cc32)c1
InChIInChI=1S/C22H20FNO5S/c1-27-15-5-3-4-14(11-15)21-17-10-13(12-30(24,25)26)6-7-16(17)20-19(29-21)9-8-18(23)22(20)28-2/h3-11,21H,12H2,1-2H3,(H2,24,25,26)
InChIKeyAIUJXNHNYUSZAZ-UHFFFAOYSA-N
XLogP3.78
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188569) is [2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cccc(C2Oc3ccc(F)c(OC)c3-c3ccc(CS(N)(=O)=O)cc32)c1.
What is the InChIKey of [2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is AIUJXNHNYUSZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5S/c1-27-15-5-3-4-14(11-15)21-17-10-13(12-30(24,25)26)6-7-16(17)20-19(29-21)9-8-18(23)22(20)28-2/h3-11,21H,12H2,1-2H3,(H2,24,25,26).
What are the key properties of [2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 429.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).