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

C24H18N4O3S — CID 71719934

IUPAC3-cyano-N-(5-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide
SMILESCc1cncnc1NS(=O)(=O)c1ccc(Oc2ccccc2-c2ccccc2)c(C#N)c1
InChIInChI=1S/C24H18N4O3S/c1-17-15-26-16-27-24(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)
InChIKeyDRAOWYUBHIBVCX-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.92
Rot. Bonds6

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

3-cyano-N-(5-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide (PubChem CID 71719934) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is 3-cyano-N-(5-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(5-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide
PubChem CID71719934
Molecular FormulaC24H18N4O3S
Molecular Weight442.50 g/mol
Exact Mass442.11
IUPAC Name3-cyano-N-(5-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide
SMILESCc1cncnc1NS(=O)(=O)c1ccc(Oc2ccccc2-c2ccccc2)c(C#N)c1
InChIInChI=1S/C24H18N4O3S/c1-17-15-26-16-27-24(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)
InChIKeyDRAOWYUBHIBVCX-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

Analyze 3-cyano-N-(5-methylpyrimidin-4-yl)-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

Related Compounds

3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71718191
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-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-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71720554
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-ethylphenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 118009905
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-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(5-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide (CID 71719934) is 3-cyano-N-(5-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(5-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(5-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide is Cc1cncnc1NS(=O)(=O)c1ccc(Oc2ccccc2-c2ccccc2)c(C#N)c1.
What is the InChIKey of 3-cyano-N-(5-methylpyrimidin-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
The InChIKey is DRAOWYUBHIBVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S/c1-17-15-26-16-27-24(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-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide?
3-cyano-N-(5-methylpyrimidin-4-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-4-yl)-4-(2-phenylphenoxy)benzenesulfonamide is sourced from PubChem (CID 71719934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).