3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide

C23H16N4O3S — CID 71717531

IUPAC3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccncn2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C23H16N4O3S/c24-15-18-14-19(31(28,29)27-23-12-13-25-16-26-23)10-11-21(18)30-22-9-5-4-8-20(22)17-6-2-1-3-7-17/h1-14,16H,(H,25,26,27)
InChIKeyPDOXQHHAXHDTSO-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.61
Rot. Bonds6

About 3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide

3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 71717531) has the molecular formula C23H16N4O3S and a molecular weight of 428.47 g/mol. Its IUPAC name is 3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide
PubChem CID71717531
Molecular FormulaC23H16N4O3S
Molecular Weight428.47 g/mol
Exact Mass428.09
IUPAC Name3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccncn2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C23H16N4O3S/c24-15-18-14-19(31(28,29)27-23-12-13-25-16-26-23)10-11-21(18)30-22-9-5-4-8-20(22)17-6-2-1-3-7-17/h1-14,16H,(H,25,26,27)
InChIKeyPDOXQHHAXHDTSO-UHFFFAOYSA-N
XLogP4.61
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide
CID 71586033
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-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-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide
CID 71718751
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-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 71719955
3-cyano-N-(5-cyanopyrimidin-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71720554

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide (CID 71717531) is 3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccncn2)ccc1Oc1ccccc1-c1ccccc1.
What is the InChIKey of 3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is PDOXQHHAXHDTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3S/c24-15-18-14-19(31(28,29)27-23-12-13-25-16-26-23)10-11-21(18)30-22-9-5-4-8-20(22)17-6-2-1-3-7-17/h1-14,16H,(H,25,26,27).
What are the key properties of 3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide?
3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 428.47 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(2-phenylphenoxy)-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 71717531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).