N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide

C26H26ClN5O4S — CID 139847734

IUPACN-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)CCc1c(C)cc(C)cc1C
InChIInChI=1S/C26H26ClN5O4S/c1-16-14-17(2)19(18(3)15-16)10-13-37(33,34)32-24-22(36-21-9-6-5-8-20(21)35-4)23(27)30-26(31-24)25-28-11-7-12-29-25/h5-9,11-12,14-15H,10,13H2,1-4H3,(H,30,31,32)
InChIKeyJQNPBEHHIUATDJ-UHFFFAOYSA-N
MW540.05 g/mol
LogP5.30
Rot. Bonds9

About N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide

N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide (PubChem CID 139847734) has the molecular formula C26H26ClN5O4S and a molecular weight of 540.05 g/mol. Its IUPAC name is N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide
PubChem CID139847734
Molecular FormulaC26H26ClN5O4S
Molecular Weight540.05 g/mol
Exact Mass539.14
IUPAC NameN-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)CCc1c(C)cc(C)cc1C
InChIInChI=1S/C26H26ClN5O4S/c1-16-14-17(2)19(18(3)15-16)10-13-37(33,34)32-24-22(36-21-9-6-5-8-20(21)35-4)23(27)30-26(31-24)25-28-11-7-12-29-25/h5-9,11-12,14-15H,10,13H2,1-4H3,(H,30,31,32)
InChIKeyJQNPBEHHIUATDJ-UHFFFAOYSA-N
XLogP5.30
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.05
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine
CID 21041380
N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(2-pyrimidin-2-yloxyethoxy)pyrimidin-4-yl]-2-phenylethanesulfonamide
CID 10145418
N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-1-phenylbut-1-ene-2-sulfonamide
CID 54463555
(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,6-dichlorophenyl)ethenesulfonamide
CID 11734452
4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine
CID 59532567
N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,3,4-trifluorophenyl)ethenesulfonamide
CID 173278557
(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-3-ylethenesulfonamide
CID 18704858
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]propane-1-sulfonamide
CID 10129267
4-tert-butyl-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;4-tert-butyl-N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)pyrimidin-4-yl]benzenesulfonamide
CID 158312889
(E)-2-(2,5-dimethylphenyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]ethenesulfonamide
CID 10918362
4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine
CID 59532565
N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide
CID 23548261

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide?
The IUPAC name of N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide (CID 139847734) is N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide.
What is the SMILES notation for N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide?
The canonical SMILES for N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide is COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)CCc1c(C)cc(C)cc1C.
What is the InChIKey of N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide?
The InChIKey is JQNPBEHHIUATDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O4S/c1-16-14-17(2)19(18(3)15-16)10-13-37(33,34)32-24-22(36-21-9-6-5-8-20(21)35-4)23(27)30-26(31-24)25-28-11-7-12-29-25/h5-9,11-12,14-15H,10,13H2,1-4H3,(H,30,31,32).
What are the key properties of N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide?
N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide has a molecular weight of 540.05 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethanesulfonamide is sourced from PubChem (CID 139847734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).