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

C22H18ClN5O4S — CID 11202530

IUPACN-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)c1ccc(C)cn1
InChIInChI=1S/C22H18ClN5O4S/c1-14-7-8-18(25-13-14)33(29,30)28-22-19(32-17-6-4-3-5-16(17)31-2)20(23)26-21(27-22)15-9-11-24-12-10-15/h3-13H,1-2H3,(H,26,27,28)
InChIKeyJTVLWOPQTJTUHL-UHFFFAOYSA-N
MW483.94 g/mol
LogP4.50
Rot. Bonds7

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

N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide (PubChem CID 11202530) has the molecular formula C22H18ClN5O4S and a molecular weight of 483.94 g/mol. Its IUPAC name is N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
PubChem CID11202530
Molecular FormulaC22H18ClN5O4S
Molecular Weight483.94 g/mol
Exact Mass483.08
IUPAC NameN-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)c1ccc(C)cn1
InChIInChI=1S/C22H18ClN5O4S/c1-14-7-8-18(25-13-14)33(29,30)28-22-19(32-17-6-4-3-5-16(17)31-2)20(23)26-21(27-22)15-9-11-24-12-10-15/h3-13H,1-2H3,(H,26,27,28)
InChIKeyJTVLWOPQTJTUHL-UHFFFAOYSA-N
XLogP4.50
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.94
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide?
The IUPAC name of N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide (CID 11202530) is N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide is COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)c1ccc(C)cn1.
What is the InChIKey of N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide?
The InChIKey is JTVLWOPQTJTUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O4S/c1-14-7-8-18(25-13-14)33(29,30)28-22-19(32-17-6-4-3-5-16(17)31-2)20(23)26-21(27-22)15-9-11-24-12-10-15/h3-13H,1-2H3,(H,26,27,28).
What are the key properties of N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide?
N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide has a molecular weight of 483.94 g/mol, XLogP of 4.50, 7 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-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide is sourced from PubChem (CID 11202530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).