[1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide

C23H21F2NO5S2 — CID 18189059

IUPAC[1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCSCOc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)c1
InChIInChI=1S/C23H21F2NO5S2/c1-32-13-29-16-5-2-4-15(11-16)22-18-10-14(12-33(26,27)28)8-9-17(18)21-19(30-22)6-3-7-20(21)31-23(24)25/h2-11,22-23H,12-13H2,1H3,(H2,26,27,28)
InChIKeyJGOUGYUVYJHTBE-UHFFFAOYSA-N
MW493.55 g/mol
LogP4.92
Rot. Bonds8

About [1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide

[1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18189059) has the molecular formula C23H21F2NO5S2 and a molecular weight of 493.55 g/mol. Its IUPAC name is [1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18189059
Molecular FormulaC23H21F2NO5S2
Molecular Weight493.55 g/mol
Exact Mass493.08
IUPAC Name[1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCSCOc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)c1
InChIInChI=1S/C23H21F2NO5S2/c1-32-13-29-16-5-2-4-15(11-16)22-18-10-14(12-33(26,27)28)8-9-17(18)21-19(30-22)6-3-7-20(21)31-23(24)25/h2-11,22-23H,12-13H2,1H3,(H2,26,27,28)
InChIKeyJGOUGYUVYJHTBE-UHFFFAOYSA-N
XLogP4.92
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(difluoromethoxy)-6-[3-[(E)-4-methoxybut-2-enoxy]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189041
[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188680
3-[3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpropanoic acid
CID 18188986
ethyl 3-[3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpropanoate
CID 18188760
[1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188579
3-[4-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]propanoic acid
CID 18188913
[1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18504013
[1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188681
3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 18189284
[6-[3-[(E)-3-bromoprop-2-enoxy]phenyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188574
[1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188547
2-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]ethanesulfonamide
CID 70028336

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18189059) is [1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide is CSCOc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)c1.
What is the InChIKey of [1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is JGOUGYUVYJHTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO5S2/c1-32-13-29-16-5-2-4-15(11-16)22-18-10-14(12-33(26,27)28)8-9-17(18)21-19(30-22)6-3-7-20(21)31-23(24)25/h2-11,22-23H,12-13H2,1H3,(H2,26,27,28).
What are the key properties of [1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 493.55 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18189059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).