[6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C23H23NO7S — CID 18188985

IUPAC[6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1ccc(C2Oc3ccc(O)c(OC)c3-c3ccc(CS(N)(=O)=O)cc32)cc1OC
InChIInChI=1S/C23H23NO7S/c1-28-18-8-5-14(11-20(18)29-2)22-16-10-13(12-32(24,26)27)4-6-15(16)21-19(31-22)9-7-17(25)23(21)30-3/h4-11,22,25H,12H2,1-3H3,(H2,24,26,27)
InChIKeyLXFSAPJZPCWNKY-UHFFFAOYSA-N
MW457.50 g/mol
LogP3.36
Rot. Bonds6

About [6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188985) has the molecular formula C23H23NO7S and a molecular weight of 457.50 g/mol. Its IUPAC name is [6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188985
Molecular FormulaC23H23NO7S
Molecular Weight457.50 g/mol
Exact Mass457.12
IUPAC Name[6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1ccc(C2Oc3ccc(O)c(OC)c3-c3ccc(CS(N)(=O)=O)cc32)cc1OC
InChIInChI=1S/C23H23NO7S/c1-28-18-8-5-14(11-20(18)29-2)22-16-10-13(12-32(24,26)27)4-6-15(16)21-19(31-22)9-7-17(25)23(21)30-3/h4-11,22,25H,12H2,1-3H3,(H2,24,26,27)
InChIKeyLXFSAPJZPCWNKY-UHFFFAOYSA-N
XLogP3.36
TPSA117.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(3,4-dimethoxyphenyl)-1-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189093
(2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
CID 18189053
[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189177
[2-fluoro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188674
[1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18504052
[2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18504025
3-[1-methoxy-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]benzoic acid
CID 18189442
ethyl 3-[4-[1-methoxy-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]propanoate
CID 18188838
[1-methoxy-6-(3-methoxyphenyl)-2-(2-prop-2-enoxyethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188771
[1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188579
[1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188547
[6-[3-[(E)-3-bromoprop-2-enoxy]phenyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188574

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188985) is [6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1ccc(C2Oc3ccc(O)c(OC)c3-c3ccc(CS(N)(=O)=O)cc32)cc1OC.
What is the InChIKey of [6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is LXFSAPJZPCWNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO7S/c1-28-18-8-5-14(11-20(18)29-2)22-16-10-13(12-32(24,26)27)4-6-15(16)21-19(31-22)9-7-17(25)23(21)30-3/h4-11,22,25H,12H2,1-3H3,(H2,24,26,27).
What are the key properties of [6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 457.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).