3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

C25H16F3N3O3S — CID 71716879

IUPAC3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C25H16F3N3O3S/c26-25(27,28)19-10-13-24(30-16-19)31-35(32,33)20-11-12-22(18(14-20)15-29)34-23-9-5-4-8-21(23)17-6-2-1-3-7-17/h1-14,16H,(H,30,31)
InChIKeyLYJOSCNWUYZSIO-UHFFFAOYSA-N
MW495.48 g/mol
LogP6.23
Rot. Bonds6

About 3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 71716879) has the molecular formula C25H16F3N3O3S and a molecular weight of 495.48 g/mol. Its IUPAC name is 3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID71716879
Molecular FormulaC25H16F3N3O3S
Molecular Weight495.48 g/mol
Exact Mass495.09
IUPAC Name3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C25H16F3N3O3S/c26-25(27,28)19-10-13-24(30-16-19)31-35(32,33)20-11-12-22(18(14-20)15-29)34-23-9-5-4-8-21(23)17-6-2-1-3-7-17/h1-14,16H,(H,30,31)
InChIKeyLYJOSCNWUYZSIO-UHFFFAOYSA-N
XLogP6.23
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.48
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (CID 71716879) is 3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)ccc1Oc1ccccc1-c1ccccc1.
What is the InChIKey of 3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is LYJOSCNWUYZSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N3O3S/c26-25(27,28)19-10-13-24(30-16-19)31-35(32,33)20-11-12-22(18(14-20)15-29)34-23-9-5-4-8-21(23)17-6-2-1-3-7-17/h1-14,16H,(H,30,31).
What are the key properties of 3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 495.48 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 71716879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).