[6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C24H22FNO5S — CID 18188640

IUPAC[6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCOc1cc(F)cc(C2Oc3cccc(OC)c3-c3ccc(CS(N)(=O)=O)cc32)c1
InChIInChI=1S/C24H22FNO5S/c1-3-9-30-18-12-16(11-17(25)13-18)24-20-10-15(14-32(26,27)28)7-8-19(20)23-21(29-2)5-4-6-22(23)31-24/h3-8,10-13,24H,1,9,14H2,2H3,(H2,26,27,28)
InChIKeyMIVZAATZWSFYNI-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.34
Rot. Bonds7

About [6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188640) has the molecular formula C24H22FNO5S and a molecular weight of 455.51 g/mol. Its IUPAC name is [6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188640
Molecular FormulaC24H22FNO5S
Molecular Weight455.51 g/mol
Exact Mass455.12
IUPAC Name[6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCOc1cc(F)cc(C2Oc3cccc(OC)c3-c3ccc(CS(N)(=O)=O)cc32)c1
InChIInChI=1S/C24H22FNO5S/c1-3-9-30-18-12-16(11-17(25)13-18)24-20-10-15(14-32(26,27)28)7-8-19(20)23-21(29-2)5-4-6-22(23)31-24/h3-8,10-13,24H,1,9,14H2,2H3,(H2,26,27,28)
InChIKeyMIVZAATZWSFYNI-UHFFFAOYSA-N
XLogP4.34
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188640) is [6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is C=CCOc1cc(F)cc(C2Oc3cccc(OC)c3-c3ccc(CS(N)(=O)=O)cc32)c1.
What is the InChIKey of [6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is MIVZAATZWSFYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO5S/c1-3-9-30-18-12-16(11-17(25)13-18)24-20-10-15(14-32(26,27)28)7-8-19(20)23-21(29-2)5-4-6-22(23)31-24/h3-8,10-13,24H,1,9,14H2,2H3,(H2,26,27,28).
What are the key properties of [6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 455.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).