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

C23H19ClN4O4S — CID 11431637

IUPACN-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H19ClN4O4S/c1-15-7-9-17(10-8-15)33(29,30)28-23-20(32-19-6-4-3-5-18(19)31-2)21(24)26-22(27-23)16-11-13-25-14-12-16/h3-14H,1-2H3,(H,26,27,28)
InChIKeyJCISSKVBXIMXKL-UHFFFAOYSA-N
MW482.95 g/mol
LogP5.10
Rot. Bonds7

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

N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide (PubChem CID 11431637) has the molecular formula C23H19ClN4O4S and a molecular weight of 482.95 g/mol. Its IUPAC name is N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide
PubChem CID11431637
Molecular FormulaC23H19ClN4O4S
Molecular Weight482.95 g/mol
Exact Mass482.08
IUPAC NameN-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H19ClN4O4S/c1-15-7-9-17(10-8-15)33(29,30)28-23-20(32-19-6-4-3-5-18(19)31-2)21(24)26-22(27-23)16-11-13-25-14-12-16/h3-14H,1-2H3,(H,26,27,28)
InChIKeyJCISSKVBXIMXKL-UHFFFAOYSA-N
XLogP5.10
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.95
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide 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 N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide (CID 11431637) is N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide is COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is JCISSKVBXIMXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4S/c1-15-7-9-17(10-8-15)33(29,30)28-23-20(32-19-6-4-3-5-18(19)31-2)21(24)26-22(27-23)16-11-13-25-14-12-16/h3-14H,1-2H3,(H,26,27,28).
What are the key properties of N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide?
N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 482.95 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11431637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).