N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide

C18H14F3N3O3S — CID 127039434

IUPACN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cnc2ccccc2c1
InChIInChI=1S/C18H14F3N3O3S/c19-18(20,21)14-5-6-16(24-11-14)28(26,27)8-7-22-17(25)13-9-12-3-1-2-4-15(12)23-10-13/h1-6,9-11H,7-8H2,(H,22,25)
InChIKeyDWICMVYFMPAZJL-UHFFFAOYSA-N
MW409.39 g/mol
LogP2.85
Rot. Bonds5

About N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide

N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide (PubChem CID 127039434) has the molecular formula C18H14F3N3O3S and a molecular weight of 409.39 g/mol. Its IUPAC name is N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide
PubChem CID127039434
Molecular FormulaC18H14F3N3O3S
Molecular Weight409.39 g/mol
Exact Mass409.07
IUPAC NameN-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cnc2ccccc2c1
InChIInChI=1S/C18H14F3N3O3S/c19-18(20,21)14-5-6-16(24-11-14)28(26,27)8-7-22-17(25)13-9-12-3-1-2-4-15(12)23-10-13/h1-6,9-11H,7-8H2,(H,22,25)
InChIKeyDWICMVYFMPAZJL-UHFFFAOYSA-N
XLogP2.85
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide?
The IUPAC name of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide (CID 127039434) is N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide?
The canonical SMILES for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide is O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cnc2ccccc2c1.
What is the InChIKey of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide?
The InChIKey is DWICMVYFMPAZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S/c19-18(20,21)14-5-6-16(24-11-14)28(26,27)8-7-22-17(25)13-9-12-3-1-2-4-15(12)23-10-13/h1-6,9-11H,7-8H2,(H,22,25).
What are the key properties of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide?
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide has a molecular weight of 409.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 127039434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).