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

C22H18F3N5O4S — CID 122312915

IUPACN-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCc1nc(Oc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)cc(-n2ccnc2C)n1
InChIInChI=1S/C22H18F3N5O4S/c1-14-27-20(30-12-11-26-15(30)2)13-21(28-14)33-17-9-7-16(8-10-17)29-35(31,32)19-6-4-3-5-18(19)34-22(23,24)25/h3-13,29H,1-2H3
InChIKeyFAIKVVRURYLDJI-UHFFFAOYSA-N
MW505.48 g/mol
LogP4.77
Rot. Bonds7

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

N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 122312915) has the molecular formula C22H18F3N5O4S and a molecular weight of 505.48 g/mol. Its IUPAC name is N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID122312915
Molecular FormulaC22H18F3N5O4S
Molecular Weight505.48 g/mol
Exact Mass505.10
IUPAC NameN-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCc1nc(Oc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)cc(-n2ccnc2C)n1
InChIInChI=1S/C22H18F3N5O4S/c1-14-27-20(30-12-11-26-15(30)2)13-21(28-14)33-17-9-7-16(8-10-17)29-35(31,32)19-6-4-3-5-18(19)34-22(23,24)25/h3-13,29H,1-2H3
InChIKeyFAIKVVRURYLDJI-UHFFFAOYSA-N
XLogP4.77
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312728
2,4,5-trimethyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312715
5-chloro-2-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312878
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122291969
N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122312712
2-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312348
1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312948
(E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide
CID 122312893
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide
CID 122312815
2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312623
2,4-dimethoxy-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312584
5-fluoro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312495

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 122312915) is N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide is Cc1nc(Oc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)cc(-n2ccnc2C)n1.
What is the InChIKey of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is FAIKVVRURYLDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O4S/c1-14-27-20(30-12-11-26-15(30)2)13-21(28-14)33-17-9-7-16(8-10-17)29-35(31,32)19-6-4-3-5-18(19)34-22(23,24)25/h3-13,29H,1-2H3.
What are the key properties of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 505.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 122312915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).