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

C24H20N6O4S — CID 122312548

IUPACN-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Oc4cc(-n5ccnc5C)ncn4)cc3)cc2)co1
InChIInChI=1S/C24H20N6O4S/c1-16-25-11-12-30(16)23-13-24(27-15-26-23)34-20-7-5-19(6-8-20)29-35(31,32)21-9-3-18(4-10-21)22-14-33-17(2)28-22/h3-15,29H,1-2H3
InChIKeyAUPMSLYBYMGHGI-UHFFFAOYSA-N
MW488.53 g/mol
LogP4.53
Rot. Bonds7

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

N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 122312548) has the molecular formula C24H20N6O4S and a molecular weight of 488.53 g/mol. Its IUPAC name is N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID122312548
Molecular FormulaC24H20N6O4S
Molecular Weight488.53 g/mol
Exact Mass488.13
IUPAC NameN-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Oc4cc(-n5ccnc5C)ncn4)cc3)cc2)co1
InChIInChI=1S/C24H20N6O4S/c1-16-25-11-12-30(16)23-13-24(27-15-26-23)34-20-7-5-19(6-8-20)29-35(31,32)21-9-3-18(4-10-21)22-14-33-17(2)28-22/h3-15,29H,1-2H3
InChIKeyAUPMSLYBYMGHGI-UHFFFAOYSA-N
XLogP4.53
TPSA125.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122312170
4-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312331
3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312325
4-acetyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312502
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-nitrobenzenesulfonamide
CID 122312588
4-cyano-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312564
2,4-dimethoxy-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312584
2-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312348
4-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306608
N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122312712
5-fluoro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312495
N-(3-chloro-4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583132

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 122312548) is N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Oc4cc(-n5ccnc5C)ncn4)cc3)cc2)co1.
What is the InChIKey of N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is AUPMSLYBYMGHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O4S/c1-16-25-11-12-30(16)23-13-24(27-15-26-23)34-20-7-5-19(6-8-20)29-35(31,32)21-9-3-18(4-10-21)22-14-33-17(2)28-22/h3-15,29H,1-2H3.
What are the key properties of N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 488.53 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 122312548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).