N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide

C21H19N5O4S — CID 122311965

IUPACN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C21H19N5O4S/c1-15-3-8-18(29-2)19(11-15)31(27,28)25-16-4-6-17(7-5-16)30-21-12-20(23-13-24-21)26-10-9-22-14-26/h3-14,25H,1-2H3
InChIKeyIEVVCWMYJZWNMS-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.57
Rot. Bonds7

About N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide

N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 122311965) has the molecular formula C21H19N5O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID122311965
Molecular FormulaC21H19N5O4S
Molecular Weight437.48 g/mol
Exact Mass437.12
IUPAC NameN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C21H19N5O4S/c1-15-3-8-18(29-2)19(11-15)31(27,28)25-16-4-6-17(7-5-16)30-21-12-20(23-13-24-21)26-10-9-22-14-26/h3-14,25H,1-2H3
InChIKeyIEVVCWMYJZWNMS-UHFFFAOYSA-N
XLogP3.57
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-bromo-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122312181
5-fluoro-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-methoxybenzenesulfonamide
CID 122313251
2-methoxy-5-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309320
5-fluoro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312495
3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122311973
4-cyano-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122312186
2-methoxy-5-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304738
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
CID 122311892
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122312170
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide
CID 121135249
N-[[5-[[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122312172

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide (CID 122311965) is N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1.
What is the InChIKey of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is IEVVCWMYJZWNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S/c1-15-3-8-18(29-2)19(11-15)31(27,28)25-16-4-6-17(7-5-16)30-21-12-20(23-13-24-21)26-10-9-22-14-26/h3-14,25H,1-2H3.
What are the key properties of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 437.48 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 122311965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).