[6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide

C21H16F3NO4S — CID 18188576

IUPAC[6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)(F)F)c1-2
InChIInChI=1S/C21H16F3NO4S/c22-21(23,24)29-18-8-4-7-17-19(18)15-10-9-13(12-30(25,26)27)11-16(15)20(28-17)14-5-2-1-3-6-14/h1-11,20H,12H2,(H2,25,26,27)
InChIKeyKNBMYDPZUPAYGO-UHFFFAOYSA-N
MW435.42 g/mol
LogP4.52
Rot. Bonds4

About [6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188576) has the molecular formula C21H16F3NO4S and a molecular weight of 435.42 g/mol. Its IUPAC name is [6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188576
Molecular FormulaC21H16F3NO4S
Molecular Weight435.42 g/mol
Exact Mass435.08
IUPAC Name[6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)(F)F)c1-2
InChIInChI=1S/C21H16F3NO4S/c22-21(23,24)29-18-8-4-7-17-19(18)15-10-9-13(12-30(25,26)27)11-16(15)20(28-17)14-5-2-1-3-6-14/h1-11,20H,12H2,(H2,25,26,27)
InChIKeyKNBMYDPZUPAYGO-UHFFFAOYSA-N
XLogP4.52
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-phenyl-1-(trifluoromethoxy)-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

Frequently Asked Questions

What is the IUPAC name of [6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188576) is [6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide is NS(=O)(=O)Cc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)(F)F)c1-2.
What is the InChIKey of [6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is KNBMYDPZUPAYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO4S/c22-21(23,24)29-18-8-4-7-17-19(18)15-10-9-13(12-30(25,26)27)11-16(15)20(28-17)14-5-2-1-3-6-14/h1-11,20H,12H2,(H2,25,26,27).
What are the key properties of [6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 435.42 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).