(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide

C24H19ClN4O4S — CID 18704885

IUPAC(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccccn2)nc1NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H19ClN4O4S/c1-32-19-12-5-6-13-20(19)33-21-22(25)27-23(18-11-7-8-15-26-18)28-24(21)29-34(30,31)16-14-17-9-3-2-4-10-17/h2-16H,1H3,(H,27,28,29)/b16-14+
InChIKeyQISWYXGEQBLAKW-JQIJEIRASA-N
MW494.96 g/mol
LogP5.41
Rot. Bonds8

About (E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide

(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide (PubChem CID 18704885) has the molecular formula C24H19ClN4O4S and a molecular weight of 494.96 g/mol. Its IUPAC name is (E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
PubChem CID18704885
Molecular FormulaC24H19ClN4O4S
Molecular Weight494.96 g/mol
Exact Mass494.08
IUPAC Name(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccccn2)nc1NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H19ClN4O4S/c1-32-19-12-5-6-13-20(19)33-21-22(25)27-23(18-11-7-8-15-26-18)28-24(21)29-34(30,31)16-14-17-9-3-2-4-10-17/h2-16H,1H3,(H,27,28,29)/b16-14+
InChIKeyQISWYXGEQBLAKW-JQIJEIRASA-N
XLogP5.41
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.96
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide (CID 18704885) is (E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide is COc1ccccc1Oc1c(Cl)nc(-c2ccccn2)nc1NS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide?
The InChIKey is QISWYXGEQBLAKW-JQIJEIRASA-N. The full InChI is InChI=1S/C24H19ClN4O4S/c1-32-19-12-5-6-13-20(19)33-21-22(25)27-23(18-11-7-8-15-26-18)28-24(21)29-34(30,31)16-14-17-9-3-2-4-10-17/h2-16H,1H3,(H,27,28,29)/b16-14+.
What are the key properties of (E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide?
(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide has a molecular weight of 494.96 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 18704885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).