[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide

C21H15ClF3NO4S — CID 18189452

IUPAC[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(Cl)c1)Oc1ccc(F)c(OC(F)F)c1-2
InChIInChI=1S/C21H15ClF3NO4S/c22-13-3-1-2-12(9-13)19-15-8-11(10-31(26,27)28)4-5-14(15)18-17(29-19)7-6-16(23)20(18)30-21(24)25/h1-9,19,21H,10H2,(H2,26,27,28)
InChIKeyDRZVLYRSUUYGQA-UHFFFAOYSA-N
MW469.87 g/mol
LogP5.02
Rot. Bonds5

About [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18189452) has the molecular formula C21H15ClF3NO4S and a molecular weight of 469.87 g/mol. Its IUPAC name is [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18189452
Molecular FormulaC21H15ClF3NO4S
Molecular Weight469.87 g/mol
Exact Mass469.04
IUPAC Name[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(Cl)c1)Oc1ccc(F)c(OC(F)F)c1-2
InChIInChI=1S/C21H15ClF3NO4S/c22-13-3-1-2-12(9-13)19-15-8-11(10-31(26,27)28)4-5-14(15)18-17(29-19)7-6-16(23)20(18)30-21(24)25/h1-9,19,21H,10H2,(H2,26,27,28)
InChIKeyDRZVLYRSUUYGQA-UHFFFAOYSA-N
XLogP5.02
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.87
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-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-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18189452) is [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide is NS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(Cl)c1)Oc1ccc(F)c(OC(F)F)c1-2.
What is the InChIKey of [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is DRZVLYRSUUYGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3NO4S/c22-13-3-1-2-12(9-13)19-15-8-11(10-31(26,27)28)4-5-14(15)18-17(29-19)7-6-16(23)20(18)30-21(24)25/h1-9,19,21H,10H2,(H2,26,27,28).
What are the key properties of [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 469.87 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18189452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).