5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide

C23H21N5O6S — CID 11569523

IUPAC5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(CO)cn2)nc(-c2ccncc2)nc1OC
InChIInChI=1S/C23H21N5O6S/c1-32-17-5-3-4-6-18(17)34-20-22(28-35(30,31)19-8-7-15(14-29)13-25-19)26-21(27-23(20)33-2)16-9-11-24-12-10-16/h3-13,29H,14H2,1-2H3,(H,26,27,28)
InChIKeyHLBFCFDEDJERQE-UHFFFAOYSA-N
MW495.52 g/mol
LogP3.04
Rot. Bonds9

About 5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide

5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide (PubChem CID 11569523) has the molecular formula C23H21N5O6S and a molecular weight of 495.52 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide
PubChem CID11569523
Molecular FormulaC23H21N5O6S
Molecular Weight495.52 g/mol
Exact Mass495.12
IUPAC Name5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(CO)cn2)nc(-c2ccncc2)nc1OC
InChIInChI=1S/C23H21N5O6S/c1-32-17-5-3-4-6-18(17)34-20-22(28-35(30,31)19-8-7-15(14-29)13-25-19)26-21(27-23(20)33-2)16-9-11-24-12-10-16/h3-13,29H,14H2,1-2H3,(H,26,27,28)
InChIKeyHLBFCFDEDJERQE-UHFFFAOYSA-N
XLogP3.04
TPSA145.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide (CID 11569523) is 5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide is COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(CO)cn2)nc(-c2ccncc2)nc1OC.
What is the InChIKey of 5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide?
The InChIKey is HLBFCFDEDJERQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O6S/c1-32-17-5-3-4-6-18(17)34-20-22(28-35(30,31)19-8-7-15(14-29)13-25-19)26-21(27-23(20)33-2)16-9-11-24-12-10-16/h3-13,29H,14H2,1-2H3,(H,26,27,28).
What are the key properties of 5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide?
5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide has a molecular weight of 495.52 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 11569523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).