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

C21H16F3NO4S — CID 18188680

IUPAC[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C21H16F3NO4S/c22-14-4-1-3-13(10-14)20-16-9-12(11-30(25,26)27)7-8-15(16)19-17(28-20)5-2-6-18(19)29-21(23)24/h1-10,20-21H,11H2,(H2,25,26,27)
InChIKeyYCHLQSCLKDYDBU-UHFFFAOYSA-N
MW435.42 g/mol
LogP4.36
Rot. Bonds5

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

[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188680) has the molecular formula C21H16F3NO4S and a molecular weight of 435.42 g/mol. Its IUPAC name is [1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188680
Molecular FormulaC21H16F3NO4S
Molecular Weight435.42 g/mol
Exact Mass435.08
IUPAC Name[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C21H16F3NO4S/c22-14-4-1-3-13(10-14)20-16-9-12(11-30(25,26)27)7-8-15(16)19-17(28-20)5-2-6-18(19)29-21(23)24/h1-10,20-21H,11H2,(H2,25,26,27)
InChIKeyYCHLQSCLKDYDBU-UHFFFAOYSA-N
XLogP4.36
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188681
2-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]ethanesulfonamide
CID 70028336
[1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189059
3-[4-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]propanoic acid
CID 18188913
3-[3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpropanoic acid
CID 18188986
[1-(difluoromethoxy)-6-[3-[(E)-4-methoxybut-2-enoxy]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189041
[1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18504013
ethyl 3-[3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpropanoate
CID 18188760
3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 18189284
[1-(difluoromethoxy)-6-(3-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188965
[2-fluoro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188674
[1-ethylsulfinyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188731

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188680) is [1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is NS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(OC(F)F)c1-2.
What is the InChIKey of [1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is YCHLQSCLKDYDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO4S/c22-14-4-1-3-13(10-14)20-16-9-12(11-30(25,26)27)7-8-15(16)19-17(28-20)5-2-6-18(19)29-21(23)24/h1-10,20-21H,11H2,(H2,25,26,27).
What are the key properties of [1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 435.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).