3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide

C24H15N5O3S — CID 71720554

IUPAC3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
SMILESN#Cc1cnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)nc1
InChIInChI=1S/C24H15N5O3S/c25-13-17-15-27-24(28-16-17)29-33(30,31)20-10-11-22(19(12-20)14-26)32-23-9-5-4-8-21(23)18-6-2-1-3-7-18/h1-12,15-16H,(H,27,28,29)
InChIKeySRFCNQGFCDFINU-UHFFFAOYSA-N
MW453.48 g/mol
LogP4.48
Rot. Bonds6

About 3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide

3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide (PubChem CID 71720554) has the molecular formula C24H15N5O3S and a molecular weight of 453.48 g/mol. Its IUPAC name is 3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
PubChem CID71720554
Molecular FormulaC24H15N5O3S
Molecular Weight453.48 g/mol
Exact Mass453.09
IUPAC Name3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
SMILESN#Cc1cnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)nc1
InChIInChI=1S/C24H15N5O3S/c25-13-17-15-27-24(28-16-17)29-33(30,31)20-10-11-22(19(12-20)14-26)32-23-9-5-4-8-21(23)18-6-2-1-3-7-18/h1-12,15-16H,(H,27,28,29)
InChIKeySRFCNQGFCDFINU-UHFFFAOYSA-N
XLogP4.48
TPSA128.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71718191
3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide
CID 71717531
3-cyano-N-(5-methyl-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71717547
4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71717560
3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71718141
3-cyano-4-(2-pyrimidin-5-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71718759
3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71719332
3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 71719353
3-cyano-N-(5-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71719934
3-cyano-4-(2-phenylphenoxy)-N-[6-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 71720578
3-cyano-N-(5-fluoropyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71720580
3-cyano-4-(2-phenylphenoxy)-N-[5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 71716879

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide (CID 71720554) is 3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide is N#Cc1cnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)nc1.
What is the InChIKey of 3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
The InChIKey is SRFCNQGFCDFINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N5O3S/c25-13-17-15-27-24(28-16-17)29-33(30,31)20-10-11-22(19(12-20)14-26)32-23-9-5-4-8-21(23)18-6-2-1-3-7-18/h1-12,15-16H,(H,27,28,29).
What are the key properties of 3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide has a molecular weight of 453.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide is sourced from PubChem (CID 71720554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).