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

C21H15F4NO3S — CID 18189144

IUPAC[6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(C(F)(F)F)c1-2
InChIInChI=1S/C21H15F4NO3S/c22-14-4-1-3-13(10-14)20-16-9-12(11-30(26,27)28)7-8-15(16)19-17(21(23,24)25)5-2-6-18(19)29-20/h1-10,20H,11H2,(H2,26,27,28)
InChIKeyMYXHCVHIYRMFKD-UHFFFAOYSA-N
MW437.41 g/mol
LogP4.78
Rot. Bonds3

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

[6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18189144) has the molecular formula C21H15F4NO3S and a molecular weight of 437.41 g/mol. Its IUPAC name is [6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18189144
Molecular FormulaC21H15F4NO3S
Molecular Weight437.41 g/mol
Exact Mass437.07
IUPAC Name[6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(C(F)(F)F)c1-2
InChIInChI=1S/C21H15F4NO3S/c22-14-4-1-3-13(10-14)20-16-9-12(11-30(26,27)28)7-8-15(16)19-17(21(23,24)25)5-2-6-18(19)29-20/h1-10,20H,11H2,(H2,26,27,28)
InChIKeyMYXHCVHIYRMFKD-UHFFFAOYSA-N
XLogP4.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18189144) is [6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is NS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(C(F)(F)F)c1-2.
What is the InChIKey of [6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is MYXHCVHIYRMFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4NO3S/c22-14-4-1-3-13(10-14)20-16-9-12(11-30(26,27)28)7-8-15(16)19-17(21(23,24)25)5-2-6-18(19)29-20/h1-10,20H,11H2,(H2,26,27,28).
What are the key properties of [6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 437.41 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluorophenyl)-1-(trifluoromethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18189144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).