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

C24H18N4O3S — CID 71719332

IUPAC3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)nc1
InChIInChI=1S/C24H18N4O3S/c1-17-15-26-24(27-16-17)28-32(29,30)20-11-12-22(19(13-20)14-25)31-23-10-6-5-9-21(23)18-7-3-2-4-8-18/h2-13,15-16H,1H3,(H,26,27,28)
InChIKeyIAXSGEMBBOLMCJ-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.92
Rot. Bonds6

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

3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide (PubChem CID 71719332) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is 3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
PubChem CID71719332
Molecular FormulaC24H18N4O3S
Molecular Weight442.50 g/mol
Exact Mass442.11
IUPAC Name3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)nc1
InChIInChI=1S/C24H18N4O3S/c1-17-15-26-24(27-16-17)28-32(29,30)20-11-12-22(19(13-20)14-25)31-23-10-6-5-9-21(23)18-7-3-2-4-8-18/h2-13,15-16H,1H3,(H,26,27,28)
InChIKeyIAXSGEMBBOLMCJ-UHFFFAOYSA-N
XLogP4.92
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71718191
4-[[4-[[4-(4-Cyano-2,6-dimethyl-phenoxy)-5-phenyl-pyrimidin-2-yl]amino]-1-piperidyl]methyl]benzenesulfonamide
CID 147708249
N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenoxy]butyl]-4-methyl-benzenesulfonamide
CID 5271330
3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide
CID 71717531
3-cyano-N-(5-methyl-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71717547
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-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 71719353
3-cyano-4-[2-(dimethylamino)-4-(4-methylphenyl)pyrimidin-5-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71719357
3-cyano-N-(5-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71719934
3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71720554
3-cyano-4-(2-phenylphenoxy)-N-[6-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 71720578

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide (CID 71719332) is 3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)nc1.
What is the InChIKey of 3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
The InChIKey is IAXSGEMBBOLMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S/c1-17-15-26-24(27-16-17)28-32(29,30)20-11-12-22(19(13-20)14-25)31-23-10-6-5-9-21(23)18-7-3-2-4-8-18/h2-13,15-16H,1H3,(H,26,27,28).
What are the key properties of 3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide has a molecular weight of 442.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-methylpyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide is sourced from PubChem (CID 71719332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).