2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide

C20H17F3N2O4S — CID 57171744

IUPAC2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESNS(=O)(=O)CC(=O)Cc1ccc(OCc2ccc3ccccc3n2)c(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O4S/c21-20(22,23)17-10-13(9-16(26)12-30(24,27)28)5-8-19(17)29-11-15-7-6-14-3-1-2-4-18(14)25-15/h1-8,10H,9,11-12H2,(H2,24,27,28)
InChIKeyMTZYLCGNGNSAGD-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.23
Rot. Bonds7

About 2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide

2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide (PubChem CID 57171744) has the molecular formula C20H17F3N2O4S and a molecular weight of 438.43 g/mol. Its IUPAC name is 2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
PubChem CID57171744
Molecular FormulaC20H17F3N2O4S
Molecular Weight438.43 g/mol
Exact Mass438.09
IUPAC Name2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESNS(=O)(=O)CC(=O)Cc1ccc(OCc2ccc3ccccc3n2)c(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O4S/c21-20(22,23)17-10-13(9-16(26)12-30(24,27)28)5-8-19(17)29-11-15-7-6-14-3-1-2-4-18(14)25-15/h1-8,10H,9,11-12H2,(H2,24,27,28)
InChIKeyMTZYLCGNGNSAGD-UHFFFAOYSA-N
XLogP3.23
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The IUPAC name of 2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide (CID 57171744) is 2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for 2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for 2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide is NS(=O)(=O)CC(=O)Cc1ccc(OCc2ccc3ccccc3n2)c(C(F)(F)F)c1.
What is the InChIKey of 2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The InChIKey is MTZYLCGNGNSAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4S/c21-20(22,23)17-10-13(9-16(26)12-30(24,27)28)5-8-19(17)29-11-15-7-6-14-3-1-2-4-18(14)25-15/h1-8,10H,9,11-12H2,(H2,24,27,28).
What are the key properties of 2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide has a molecular weight of 438.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 57171744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).