2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide

C18H11F6N3O3S — CID 86669763

IUPAC2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12)C(F)(F)F
InChIInChI=1S/C18H11F6N3O3S/c19-17(20,21)11-6-7-14(13(9-11)26-16(28)18(22,23)24)31(29,30)27-12-5-1-3-10-4-2-8-25-15(10)12/h1-9,27H,(H,26,28)
InChIKeyVYLNXXKBCVACCM-UHFFFAOYSA-N
MW463.36 g/mol
LogP4.56
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide

2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 86669763) has the molecular formula C18H11F6N3O3S and a molecular weight of 463.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID86669763
Molecular FormulaC18H11F6N3O3S
Molecular Weight463.36 g/mol
Exact Mass463.04
IUPAC Name2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12)C(F)(F)F
InChIInChI=1S/C18H11F6N3O3S/c19-17(20,21)11-6-7-14(13(9-11)26-16(28)18(22,23)24)31(29,30)27-12-5-1-3-10-4-2-8-25-15(10)12/h1-9,27H,(H,26,28)
InChIKeyVYLNXXKBCVACCM-UHFFFAOYSA-N
XLogP4.56
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide (CID 86669763) is 2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide is O=C(Nc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VYLNXXKBCVACCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O3S/c19-17(20,21)11-6-7-14(13(9-11)26-16(28)18(22,23)24)31(29,30)27-12-5-1-3-10-4-2-8-25-15(10)12/h1-9,27H,(H,26,28).
What are the key properties of 2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide?
2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 463.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 86669763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).