2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide

C25H19F3N2O3S — CID 142054275

IUPAC2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
SMILESO=C(NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H19F3N2O3S/c26-25(27,28)21-12-13-23(29-16-21)34(32,33)30-24(31)22(14-17-6-2-1-3-7-17)20-11-10-18-8-4-5-9-19(18)15-20/h1-13,15-16,22H,14H2,(H,30,31)
InChIKeyYCXQQZRTJSJJNN-UHFFFAOYSA-N
MW484.50 g/mol
LogP5.09
Rot. Bonds6

About 2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide

2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide (PubChem CID 142054275) has the molecular formula C25H19F3N2O3S and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
PubChem CID142054275
Molecular FormulaC25H19F3N2O3S
Molecular Weight484.50 g/mol
Exact Mass484.11
IUPAC Name2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
SMILESO=C(NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H19F3N2O3S/c26-25(27,28)21-12-13-23(29-16-21)34(32,33)30-24(31)22(14-17-6-2-1-3-7-17)20-11-10-18-8-4-5-9-19(18)15-20/h1-13,15-16,22H,14H2,(H,30,31)
InChIKeyYCXQQZRTJSJJNN-UHFFFAOYSA-N
XLogP5.09
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The IUPAC name of 2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide (CID 142054275) is 2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide.
What is the SMILES notation for 2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The canonical SMILES for 2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide is O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The InChIKey is YCXQQZRTJSJJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3S/c26-25(27,28)21-12-13-23(29-16-21)34(32,33)30-24(31)22(14-17-6-2-1-3-7-17)20-11-10-18-8-4-5-9-19(18)15-20/h1-13,15-16,22H,14H2,(H,30,31).
What are the key properties of 2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide has a molecular weight of 484.50 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide is sourced from PubChem (CID 142054275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).