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

C24H23NO5S — CID 18188579

IUPAC[1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCOc1cccc(C2Oc3cccc(OC)c3-c3ccc(CS(N)(=O)=O)cc32)c1
InChIInChI=1S/C24H23NO5S/c1-3-12-29-18-7-4-6-17(14-18)24-20-13-16(15-31(25,26)27)10-11-19(20)23-21(28-2)8-5-9-22(23)30-24/h3-11,13-14,24H,1,12,15H2,2H3,(H2,25,26,27)
InChIKeyUYSBWMVQMDFJIU-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.20
Rot. Bonds7

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

[1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188579) has the molecular formula C24H23NO5S and a molecular weight of 437.52 g/mol. Its IUPAC name is [1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188579
Molecular FormulaC24H23NO5S
Molecular Weight437.52 g/mol
Exact Mass437.13
IUPAC Name[1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCOc1cccc(C2Oc3cccc(OC)c3-c3ccc(CS(N)(=O)=O)cc32)c1
InChIInChI=1S/C24H23NO5S/c1-3-12-29-18-7-4-6-17(14-18)24-20-13-16(15-31(25,26)27)10-11-19(20)23-21(28-2)8-5-9-22(23)30-24/h3-11,13-14,24H,1,12,15H2,2H3,(H2,25,26,27)
InChIKeyUYSBWMVQMDFJIU-UHFFFAOYSA-N
XLogP4.20
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(6aR,10R,10aR)-10-hydroperoxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl] 4-methylbenzenesulfonate
CID 145993268
[(6aR,10aR)-8-hydroperoxy-6,6-dimethyl-9-methylidene-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-yl] 4-methylbenzenesulfonate
CID 145991901
[(6aR,10S,10aR)-10-hydroperoxy-6,6-dimethyl-9-methylidene-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-yl] 4-methylbenzenesulfonate
CID 145988287
(4-Methoxy-2-propan-2-yloxyphenanthren-9-yl) trifluoromethanesulfonate
CID 139248181
7,9-dimethoxy-1,3-dimethyl-5-phenylmethoxy-1H-benzo[g]isochromene
CID 11440288
[11-(3,5-Dimethoxyphenyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl] trifluoromethanesulfonate
CID 54756757
[6-(3-fluorophenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188529
[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188533
ethyl 4-[4-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]butanoate
CID 18188541
ethyl 3-[3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]propanoate
CID 18188550
2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide
CID 18188551
[1-(difluoromethoxy)-6-(6-oxohexyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188552

Frequently Asked Questions

What is the IUPAC name of [1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188579) is [1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is C=CCOc1cccc(C2Oc3cccc(OC)c3-c3ccc(CS(N)(=O)=O)cc32)c1.
What is the InChIKey of [1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is UYSBWMVQMDFJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5S/c1-3-12-29-18-7-4-6-17(14-18)24-20-13-16(15-31(25,26)27)10-11-19(20)23-21(28-2)8-5-9-22(23)30-24/h3-11,13-14,24H,1,12,15H2,2H3,(H2,25,26,27).
What are the key properties of [1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 437.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).