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

C23H23NO4S — CID 18188547

IUPAC[1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(OC)c1)O2
InChIInChI=1S/C23H23NO4S/c1-3-16-6-5-9-21-22(16)19-11-10-15(14-29(24,25)26)12-20(19)23(28-21)17-7-4-8-18(13-17)27-2/h4-13,23H,3,14H2,1-2H3,(H2,24,25,26)
InChIKeyDEGGAXJLLVYPRZ-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.19
Rot. Bonds5

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

[1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188547) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is [1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188547
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC Name[1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(OC)c1)O2
InChIInChI=1S/C23H23NO4S/c1-3-16-6-5-9-21-22(16)19-11-10-15(14-29(24,25)26)12-20(19)23(28-21)17-7-4-8-18(13-17)27-2/h4-13,23H,3,14H2,1-2H3,(H2,24,25,26)
InChIKeyDEGGAXJLLVYPRZ-UHFFFAOYSA-N
XLogP4.19
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-methoxyphenyl)-1-methylsulfonyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188845
[6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188718
[1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188579
[1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18504052
[6-[3-[(E)-3-bromoprop-2-enoxy]phenyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188574
[6-(3-chlorophenyl)-1-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189291
[1-methoxy-6-(3-methoxyphenyl)-2-(2-prop-2-enoxyethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188771
[1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189059
[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189177
(6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
CID 18188763
[1-(difluoromethoxy)-6-[3-[(E)-4-methoxybut-2-enoxy]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189041
[2-fluoro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188674

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188547) is [1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is CCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(OC)c1)O2.
What is the InChIKey of [1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is DEGGAXJLLVYPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-3-16-6-5-9-21-22(16)19-11-10-15(14-29(24,25)26)12-20(19)23(28-21)17-7-4-8-18(13-17)27-2/h4-13,23H,3,14H2,1-2H3,(H2,24,25,26).
What are the key properties of [1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).