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

C21H15F4NO4S — CID 18188681

IUPAC[1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cc(F)cc(OC(F)F)c1-2
InChIInChI=1S/C21H15F4NO4S/c22-13-3-1-2-12(7-13)20-16-6-11(10-31(26,27)28)4-5-15(16)19-17(29-20)8-14(23)9-18(19)30-21(24)25/h1-9,20-21H,10H2,(H2,26,27,28)
InChIKeyOCGSHFGNHKTPSR-UHFFFAOYSA-N
MW453.41 g/mol
LogP4.50
Rot. Bonds5

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

[1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188681) has the molecular formula C21H15F4NO4S and a molecular weight of 453.41 g/mol. Its IUPAC name is [1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188681
Molecular FormulaC21H15F4NO4S
Molecular Weight453.41 g/mol
Exact Mass453.07
IUPAC Name[1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cc(F)cc(OC(F)F)c1-2
InChIInChI=1S/C21H15F4NO4S/c22-13-3-1-2-12(7-13)20-16-6-11(10-31(26,27)28)4-5-15(16)19-17(29-20)8-14(23)9-18(19)30-21(24)25/h1-9,20-21H,10H2,(H2,26,27,28)
InChIKeyOCGSHFGNHKTPSR-UHFFFAOYSA-N
XLogP4.50
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188681) is [1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is NS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cc(F)cc(OC(F)F)c1-2.
What is the InChIKey of [1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is OCGSHFGNHKTPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4NO4S/c22-13-3-1-2-12(7-13)20-16-6-11(10-31(26,27)28)4-5-15(16)19-17(29-20)8-14(23)9-18(19)30-21(24)25/h1-9,20-21H,10H2,(H2,26,27,28).
What are the key properties of [1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 453.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).