3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide

C25H16N4O3S — CID 71718191

IUPAC3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
SMILESN#Cc1ccnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)c1
InChIInChI=1S/C25H16N4O3S/c26-16-18-12-13-28-25(14-18)29-33(30,31)21-10-11-23(20(15-21)17-27)32-24-9-5-4-8-22(24)19-6-2-1-3-7-19/h1-15H,(H,28,29)
InChIKeyLRIDCQGURCPDHC-UHFFFAOYSA-N
MW452.50 g/mol
LogP5.09
Rot. Bonds6

About 3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide

3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide (PubChem CID 71718191) has the molecular formula C25H16N4O3S and a molecular weight of 452.50 g/mol. Its IUPAC name is 3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
PubChem CID71718191
Molecular FormulaC25H16N4O3S
Molecular Weight452.50 g/mol
Exact Mass452.09
IUPAC Name3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
SMILESN#Cc1ccnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)c1
InChIInChI=1S/C25H16N4O3S/c26-16-18-12-13-28-25(14-18)29-33(30,31)21-10-11-23(20(15-21)17-27)32-24-9-5-4-8-22(24)19-6-2-1-3-7-19/h1-15H,(H,28,29)
InChIKeyLRIDCQGURCPDHC-UHFFFAOYSA-N
XLogP5.09
TPSA115.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide (CID 71718191) is 3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide is N#Cc1ccnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)c1.
What is the InChIKey of 3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide?
The InChIKey is LRIDCQGURCPDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O3S/c26-16-18-12-13-28-25(14-18)29-33(30,31)21-10-11-23(20(15-21)17-27)32-24-9-5-4-8-22(24)19-6-2-1-3-7-19/h1-15H,(H,28,29).
What are the key properties of 3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide?
3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide has a molecular weight of 452.50 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide is sourced from PubChem (CID 71718191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).