[6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide

C21H16ClF2NO4S — CID 18188663

IUPAC[6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1ccc(Cl)cc1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C21H16ClF2NO4S/c22-14-7-5-13(6-8-14)20-16-10-12(11-30(25,26)27)4-9-15(16)19-17(28-20)2-1-3-18(19)29-21(23)24/h1-10,20-21H,11H2,(H2,25,26,27)
InChIKeyPGABPCDGZHTRIG-UHFFFAOYSA-N
MW451.88 g/mol
LogP4.88
Rot. Bonds5

About [6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188663) has the molecular formula C21H16ClF2NO4S and a molecular weight of 451.88 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188663
Molecular FormulaC21H16ClF2NO4S
Molecular Weight451.88 g/mol
Exact Mass451.05
IUPAC Name[6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1ccc(Cl)cc1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C21H16ClF2NO4S/c22-14-7-5-13(6-8-14)20-16-10-12(11-30(25,26)27)4-9-15(16)19-17(28-20)2-1-3-18(19)29-21(23)24/h1-10,20-21H,11H2,(H2,25,26,27)
InChIKeyPGABPCDGZHTRIG-UHFFFAOYSA-N
XLogP4.88
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.88
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188663) is [6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide is NS(=O)(=O)Cc1ccc2c(c1)C(c1ccc(Cl)cc1)Oc1cccc(OC(F)F)c1-2.
What is the InChIKey of [6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is PGABPCDGZHTRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2NO4S/c22-14-7-5-13(6-8-14)20-16-10-12(11-30(25,26)27)4-9-15(16)19-17(28-20)2-1-3-18(19)29-21(23)24/h1-10,20-21H,11H2,(H2,25,26,27).
What are the key properties of [6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 451.88 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).