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

C21H18FNO3S2 — CID 18188658

IUPAC[6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCSc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C21H18FNO3S2/c1-27-19-7-3-6-18-20(19)16-9-8-13(12-28(23,24)25)10-17(16)21(26-18)14-4-2-5-15(22)11-14/h2-11,21H,12H2,1H3,(H2,23,24,25)
InChIKeyZPCIWRLNUFVHIF-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.48
Rot. Bonds4

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

[6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188658) has the molecular formula C21H18FNO3S2 and a molecular weight of 415.51 g/mol. Its IUPAC name is [6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188658
Molecular FormulaC21H18FNO3S2
Molecular Weight415.51 g/mol
Exact Mass415.07
IUPAC Name[6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCSc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C21H18FNO3S2/c1-27-19-7-3-6-18-20(19)16-9-8-13(12-28(23,24)25)10-17(16)21(26-18)14-4-2-5-15(22)11-14/h2-11,21H,12H2,1H3,(H2,23,24,25)
InChIKeyZPCIWRLNUFVHIF-UHFFFAOYSA-N
XLogP4.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-fluorophenyl)-1-(methoxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188570
[6-(3-methoxyphenyl)-1-(trifluoromethylsulfanyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188580
[1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188600
[2-fluoro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188674
[6-(3-chlorophenyl)-1-(trifluoromethylsulfanyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188715
[1-ethylsulfinyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188731
[1-ethenyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188769
[6-(3-fluorophenyl)-1-(trifluoromethylsulfanyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188780
[6-(3,4-dimethoxyphenyl)-1-(trifluoromethylsulfanyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188789
[6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188820
[6-(3-methoxyphenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188861
[6-phenyl-1-(trifluoromethylsulfanyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188891

Frequently Asked Questions

What is the IUPAC name of [6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188658) is [6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is CSc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2.
What is the InChIKey of [6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is ZPCIWRLNUFVHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S2/c1-27-19-7-3-6-18-20(19)16-9-8-13(12-28(23,24)25)10-17(16)21(26-18)14-4-2-5-15(22)11-14/h2-11,21H,12H2,1H3,(H2,23,24,25).
What are the key properties of [6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 415.51 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluorophenyl)-1-methylsulfanyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).