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

C24H19Br2N5O4S — CID 10189496

IUPAC(E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
InChIInChI=1S/C24H19Br2N5O4S/c25-19-8-6-18(7-9-19)21-22(31-36(32,33)13-10-17-4-2-1-3-5-17)29-16-30-23(21)34-11-12-35-24-27-14-20(26)15-28-24/h1-10,13-16H,11-12H2,(H,29,30,31)/b13-10+
InChIKeyZKUSZCLZRZNEOT-JLHYYAGUSA-N
MW633.32 g/mol
LogP5.33
Rot. Bonds10

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

(E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide (PubChem CID 10189496) has the molecular formula C24H19Br2N5O4S and a molecular weight of 633.32 g/mol. Its IUPAC name is (E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide
PubChem CID10189496
Molecular FormulaC24H19Br2N5O4S
Molecular Weight633.32 g/mol
Exact Mass630.95
IUPAC Name(E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
InChIInChI=1S/C24H19Br2N5O4S/c25-19-8-6-18(7-9-19)21-22(31-36(32,33)13-10-17-4-2-1-3-5-17)29-16-30-23(21)34-11-12-35-24-27-14-20(26)15-28-24/h1-10,13-16H,11-12H2,(H,29,30,31)/b13-10+
InChIKeyZKUSZCLZRZNEOT-JLHYYAGUSA-N
XLogP5.33
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.32
LogP ≤ 55.33
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide (CID 10189496) is (E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1.
What is the InChIKey of (E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide?
The InChIKey is ZKUSZCLZRZNEOT-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H19Br2N5O4S/c25-19-8-6-18(7-9-19)21-22(31-36(32,33)13-10-17-4-2-1-3-5-17)29-16-30-23(21)34-11-12-35-24-27-14-20(26)15-28-24/h1-10,13-16H,11-12H2,(H,29,30,31)/b13-10+.
What are the key properties of (E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide?
(E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide has a molecular weight of 633.32 g/mol, XLogP of 5.33, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 10189496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).