4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide

C20H14N6O3S — CID 122312186

IUPAC4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(-n4ccnc4)ncn3)cc2)cc1
InChIInChI=1S/C20H14N6O3S/c21-12-15-1-7-18(8-2-15)30(27,28)25-16-3-5-17(6-4-16)29-20-11-19(23-13-24-20)26-10-9-22-14-26/h1-11,13-14,25H
InChIKeyVATWWBBVVGNBNL-UHFFFAOYSA-N
MW418.44 g/mol
LogP3.13
Rot. Bonds6

About 4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide

4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide (PubChem CID 122312186) has the molecular formula C20H14N6O3S and a molecular weight of 418.44 g/mol. Its IUPAC name is 4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
PubChem CID122312186
Molecular FormulaC20H14N6O3S
Molecular Weight418.44 g/mol
Exact Mass418.08
IUPAC Name4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(-n4ccnc4)ncn3)cc2)cc1
InChIInChI=1S/C20H14N6O3S/c21-12-15-1-7-18(8-2-15)30(27,28)25-16-3-5-17(6-4-16)29-20-11-19(23-13-24-20)26-10-9-22-14-26/h1-11,13-14,25H
InChIKeyVATWWBBVVGNBNL-UHFFFAOYSA-N
XLogP3.13
TPSA122.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-cyano-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312564
3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122311973
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122312170
2-bromo-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122312181
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
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
3,4-difluoro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309116
4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309687
N-[[5-[[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122312172
4-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312331

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide (CID 122312186) is 4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(-n4ccnc4)ncn3)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is VATWWBBVVGNBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O3S/c21-12-15-1-7-18(8-2-15)30(27,28)25-16-3-5-17(6-4-16)29-20-11-19(23-13-24-20)26-10-9-22-14-26/h1-11,13-14,25H.
What are the key properties of 4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide?
4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 418.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122312186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).