1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide

C21H15F3N2O3S — CID 10455491

IUPAC1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1)C(F)(F)F
InChIInChI=1S/C21H15F3N2O3S/c22-21(23,24)30(27,28)26-17-8-5-14-7-10-19(12-16(14)11-17)29-13-18-9-6-15-3-1-2-4-20(15)25-18/h1-12,26H,13H2
InChIKeyVAXFCHHCDMSTSK-UHFFFAOYSA-N
MW432.42 g/mol
LogP5.23
Rot. Bonds5

About 1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide

1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide (PubChem CID 10455491) has the molecular formula C21H15F3N2O3S and a molecular weight of 432.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide
PubChem CID10455491
Molecular FormulaC21H15F3N2O3S
Molecular Weight432.42 g/mol
Exact Mass432.08
IUPAC Name1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1)C(F)(F)F
InChIInChI=1S/C21H15F3N2O3S/c22-21(23,24)30(27,28)26-17-8-5-14-7-10-19(12-16(14)11-17)29-13-18-9-6-15-3-1-2-4-20(15)25-18/h1-12,26H,13H2
InChIKeyVAXFCHHCDMSTSK-UHFFFAOYSA-N
XLogP5.23
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide (CID 10455491) is 1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide is O=S(=O)(Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide?
The InChIKey is VAXFCHHCDMSTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3S/c22-21(23,24)30(27,28)26-17-8-5-14-7-10-19(12-16(14)11-17)29-13-18-9-6-15-3-1-2-4-20(15)25-18/h1-12,26H,13H2.
What are the key properties of 1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide has a molecular weight of 432.42 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[7-(quinolin-2-ylmethoxy)naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 10455491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).