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

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Related Compounds

URAT1 inhibitor 7
CID 86294663
N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2812532
4-Methoxy-naphthalene-1-sulfonic acid (3-methyl-pyridin-2-yl)-amide
CID 2992209
4-ethoxy-N-(3-methylpyridin-2-yl)naphthalene-1-sulfonamide
CID 1073731
4-[2-(6-aminopyridin-3-yl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide
CID 46700763
4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide
CID 71716243
2,5-difluoro-N-(5-fluoropyridin-2-yl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 71717433
3-cyano-4-[4-fluoro-2-(6-fluoro-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71718029
4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71718112
4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71720543
N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CID 4338178
4-ethoxy-N-(4-methyl-2-pyridinyl)-1-naphthalenesulfonamide
CID 741447

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).