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

C26H17F3N2O3S — CID 66905459

IUPAC3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C26H17F3N2O3S/c27-26(28,29)22-11-5-6-12-23(22)31-35(32,33)20-14-15-24(19(16-20)17-30)34-25-13-7-4-10-21(25)18-8-2-1-3-9-18/h1-16,31H
InChIKeyHNKRHKUDMHYFGC-UHFFFAOYSA-N
MW494.49 g/mol
LogP6.84
Rot. Bonds6

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

3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 66905459) has the molecular formula C26H17F3N2O3S and a molecular weight of 494.49 g/mol. Its IUPAC name is 3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID66905459
Molecular FormulaC26H17F3N2O3S
Molecular Weight494.49 g/mol
Exact Mass494.09
IUPAC Name3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C26H17F3N2O3S/c27-26(28,29)22-11-5-6-12-23(22)31-35(32,33)20-14-15-24(19(16-20)17-30)34-25-13-7-4-10-21(25)18-8-2-1-3-9-18/h1-16,31H
InChIKeyHNKRHKUDMHYFGC-UHFFFAOYSA-N
XLogP6.84
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.49
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 66905459) is 3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1.
What is the InChIKey of 3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is HNKRHKUDMHYFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N2O3S/c27-26(28,29)22-11-5-6-12-23(22)31-35(32,33)20-14-15-24(19(16-20)17-30)34-25-13-7-4-10-21(25)18-8-2-1-3-9-18/h1-16,31H.
What are the key properties of 3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 494.49 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 66905459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).