[1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide

C20H16F2N2O4S — CID 18504013

IUPAC[1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1ccccn1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C20H16F2N2O4S/c21-20(22)28-17-6-3-5-16-18(17)13-8-7-12(11-29(23,25)26)10-14(13)19(27-16)15-4-1-2-9-24-15/h1-10,19-20H,11H2,(H2,23,25,26)
InChIKeyFNTFHPWOPFPYIZ-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.62
Rot. Bonds5

About [1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide

[1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18504013) has the molecular formula C20H16F2N2O4S and a molecular weight of 418.42 g/mol. Its IUPAC name is [1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18504013
Molecular FormulaC20H16F2N2O4S
Molecular Weight418.42 g/mol
Exact Mass418.08
IUPAC Name[1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1ccccn1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C20H16F2N2O4S/c21-20(22)28-17-6-3-5-16-18(17)13-8-7-12(11-29(23,25)26)10-14(13)19(27-16)15-4-1-2-9-24-15/h1-10,19-20H,11H2,(H2,23,25,26)
InChIKeyFNTFHPWOPFPYIZ-UHFFFAOYSA-N
XLogP3.62
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(difluoromethoxy)-6-pyridin-2-yl-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-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188680
3-[4-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]propanoic acid
CID 18188913
[1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189059
[1-(difluoromethoxy)-6-[3-[(E)-4-methoxybut-2-enoxy]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189041
3-[3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpropanoic acid
CID 18188986
[1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188681
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
2-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]ethanesulfonamide
CID 70028336
2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide
CID 18503955
[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189177
[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189452

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18504013) is [1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide is NS(=O)(=O)Cc1ccc2c(c1)C(c1ccccn1)Oc1cccc(OC(F)F)c1-2.
What is the InChIKey of [1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is FNTFHPWOPFPYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O4S/c21-20(22)28-17-6-3-5-16-18(17)13-8-7-12(11-29(23,25)26)10-14(13)19(27-16)15-4-1-2-9-24-15/h1-10,19-20H,11H2,(H2,23,25,26).
What are the key properties of [1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 418.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18504013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).