(E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide

C24H20BrN5O4S — CID 10209562

IUPAC(E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccccc1
InChIInChI=1S/C24H20BrN5O4S/c25-20-15-26-24(27-16-20)34-13-12-33-23-21(19-9-5-2-6-10-19)22(28-17-29-23)30-35(31,32)14-11-18-7-3-1-4-8-18/h1-11,14-17H,12-13H2,(H,28,29,30)/b14-11+
InChIKeyOYZVIJXFMDVWCX-SDNWHVSQSA-N
MW554.43 g/mol
LogP4.57
Rot. Bonds10

About (E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide

(E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide (PubChem CID 10209562) has the molecular formula C24H20BrN5O4S and a molecular weight of 554.43 g/mol. Its IUPAC name is (E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide
PubChem CID10209562
Molecular FormulaC24H20BrN5O4S
Molecular Weight554.43 g/mol
Exact Mass553.04
IUPAC Name(E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccccc1
InChIInChI=1S/C24H20BrN5O4S/c25-20-15-26-24(27-16-20)34-13-12-33-23-21(19-9-5-2-6-10-19)22(28-17-29-23)30-35(31,32)14-11-18-7-3-1-4-8-18/h1-11,14-17H,12-13H2,(H,28,29,30)/b14-11+
InChIKeyOYZVIJXFMDVWCX-SDNWHVSQSA-N
XLogP4.57
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 67014664
(E)-N-[5-(4-bromophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 23394012
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-2-thiophen-3-ylethenesulfonamide
CID 67014532
(E)-N-[6-[2-(4-bromophenoxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 159356391
5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine
CID 25099191
N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]ethanesulfonamide
CID 10152999
(E)-N-[5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 23393995
6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine
CID 21041318
5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(cyclopentylsulfamoyl)pyrimidin-4-amine
CID 21041265
5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(1-phenylmethoxypropylsulfamoyl)pyrimidin-4-amine
CID 131728613
4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-6-[[methyl(thiophen-2-yl)sulfamoyl]amino]pyrimidine
CID 90895542
5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfinatoamino)pyrimidine
CID 126641221

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide (CID 10209562) is (E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccccc1.
What is the InChIKey of (E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide?
The InChIKey is OYZVIJXFMDVWCX-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H20BrN5O4S/c25-20-15-26-24(27-16-20)34-13-12-33-23-21(19-9-5-2-6-10-19)22(28-17-29-23)30-35(31,32)14-11-18-7-3-1-4-8-18/h1-11,14-17H,12-13H2,(H,28,29,30)/b14-11+.
What are the key properties of (E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide?
(E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide has a molecular weight of 554.43 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-phenylpyrimidin-4-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 10209562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).