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

C21H18FNO4S — CID 10179031

IUPACN-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C21H18FNO4S/c1-26-18-7-4-8-19-20(18)16-10-9-15(23-28(2,24)25)12-17(16)21(27-19)13-5-3-6-14(22)11-13/h3-12,21,23H,1-2H3
InChIKeyVYJSUSIGTRGXQC-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.35
Rot. Bonds4

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

N-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10179031) has the molecular formula C21H18FNO4S and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10179031
Molecular FormulaC21H18FNO4S
Molecular Weight399.44 g/mol
Exact Mass399.09
IUPAC NameN-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C21H18FNO4S/c1-26-18-7-4-8-19-20(18)16-10-9-15(23-28(2,24)25)12-17(16)21(27-19)13-5-3-6-14(22)11-13/h3-12,21,23H,1-2H3
InChIKeyVYJSUSIGTRGXQC-UHFFFAOYSA-N
XLogP4.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(3-fluorophenyl)-1-methoxy-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 N-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10179031) is N-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(F)c1)O2.
What is the InChIKey of N-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is VYJSUSIGTRGXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO4S/c1-26-18-7-4-8-19-20(18)16-10-9-15(23-28(2,24)25)12-17(16)21(27-19)13-5-3-6-14(22)11-13/h3-12,21,23H,1-2H3.
What are the key properties of N-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 399.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10179031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).