2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide

C26H19F2NO4S — CID 18188551

IUPAC2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C26H19F2NO4S/c27-26(28)33-22-11-6-10-21-24(22)19-14-13-17(18-9-4-5-12-23(18)34(29,30)31)15-20(19)25(32-21)16-7-2-1-3-8-16/h1-15,25-26H,(H2,29,30,31)
InChIKeyWIRLBHAURYCTRC-UHFFFAOYSA-N
MW479.50 g/mol
LogP5.75
Rot. Bonds5

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

2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide (PubChem CID 18188551) has the molecular formula C26H19F2NO4S and a molecular weight of 479.50 g/mol. Its IUPAC name is 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide
PubChem CID18188551
Molecular FormulaC26H19F2NO4S
Molecular Weight479.50 g/mol
Exact Mass479.10
IUPAC Name2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C26H19F2NO4S/c27-26(28)33-22-11-6-10-21-24(22)19-14-13-17(18-9-4-5-12-23(18)34(29,30)31)15-20(19)25(32-21)16-7-2-1-3-8-16/h1-15,25-26H,(H2,29,30,31)
InChIKeyWIRLBHAURYCTRC-UHFFFAOYSA-N
XLogP5.75
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.50
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide?
The IUPAC name of 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide (CID 18188551) is 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide.
What is the SMILES notation for 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide?
The canonical SMILES for 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2.
What is the InChIKey of 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide?
The InChIKey is WIRLBHAURYCTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2NO4S/c27-26(28)33-22-11-6-10-21-24(22)19-14-13-17(18-9-4-5-12-23(18)34(29,30)31)15-20(19)25(32-21)16-7-2-1-3-8-16/h1-15,25-26H,(H2,29,30,31).
What are the key properties of 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide?
2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide has a molecular weight of 479.50 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide is sourced from PubChem (CID 18188551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).