N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

C23H18N6O4S — CID 122312170

IUPACN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Oc4cc(-n5ccnc5)ncn4)cc3)cc2)co1
InChIInChI=1S/C23H18N6O4S/c1-16-27-21(13-32-16)17-2-8-20(9-3-17)34(30,31)28-18-4-6-19(7-5-18)33-23-12-22(25-14-26-23)29-11-10-24-15-29/h2-15,28H,1H3
InChIKeyZDCIHYNKPZFMIY-UHFFFAOYSA-N
MW474.50 g/mol
LogP4.22
Rot. Bonds7

About N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 122312170) has the molecular formula C23H18N6O4S and a molecular weight of 474.50 g/mol. Its IUPAC name is N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID122312170
Molecular FormulaC23H18N6O4S
Molecular Weight474.50 g/mol
Exact Mass474.11
IUPAC NameN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Oc4cc(-n5ccnc5)ncn4)cc3)cc2)co1
InChIInChI=1S/C23H18N6O4S/c1-16-27-21(13-32-16)17-2-8-20(9-3-17)34(30,31)28-18-4-6-19(7-5-18)33-23-12-22(25-14-26-23)29-11-10-24-15-29/h2-15,28H,1H3
InChIKeyZDCIHYNKPZFMIY-UHFFFAOYSA-N
XLogP4.22
TPSA125.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122312548
4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122312186
3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122311973
4-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 122338409
4-ethoxy-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122313083
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122311965
2-bromo-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122312181
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-4-methylbenzenesulfonamide
CID 121074106
4-acetyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309101
4-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312331
N-[[5-[[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122312172
3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309116

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 122312170) is N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Oc4cc(-n5ccnc5)ncn4)cc3)cc2)co1.
What is the InChIKey of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is ZDCIHYNKPZFMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O4S/c1-16-27-21(13-32-16)17-2-8-20(9-3-17)34(30,31)28-18-4-6-19(7-5-18)33-23-12-22(25-14-26-23)29-11-10-24-15-29/h2-15,28H,1H3.
What are the key properties of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 474.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 122312170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).