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

C22H20FNO3S — CID 18188600

IUPAC[1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C22H20FNO3S/c1-2-15-5-4-8-20-21(15)18-10-9-14(13-28(24,25)26)11-19(18)22(27-20)16-6-3-7-17(23)12-16/h3-12,22H,2,13H2,1H3,(H2,24,25,26)
InChIKeyGOCUZRZGLGMLAI-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.33
Rot. Bonds4

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

[1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188600) has the molecular formula C22H20FNO3S and a molecular weight of 397.47 g/mol. Its IUPAC name is [1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188600
Molecular FormulaC22H20FNO3S
Molecular Weight397.47 g/mol
Exact Mass397.11
IUPAC Name[1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C22H20FNO3S/c1-2-15-5-4-8-20-21(15)18-10-9-14(13-28(24,25)26)11-19(18)22(27-20)16-6-3-7-17(23)12-16/h3-12,22H,2,13H2,1H3,(H2,24,25,26)
InChIKeyGOCUZRZGLGMLAI-UHFFFAOYSA-N
XLogP4.33
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188600) is [1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is CCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2.
What is the InChIKey of [1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is GOCUZRZGLGMLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3S/c1-2-15-5-4-8-20-21(15)18-10-9-14(13-28(24,25)26)11-19(18)22(27-20)16-6-3-7-17(23)12-16/h3-12,22H,2,13H2,1H3,(H2,24,25,26).
What are the key properties of [1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 397.47 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).