N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine

C22H19ClN6O4S — CID 21041379

IUPACN-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2cnccn2)nc1NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C22H19ClN6O4S/c1-32-17-9-5-6-10-18(17)33-19-20(23)27-21(16-14-24-11-12-25-16)28-22(19)29-34(30,31)26-13-15-7-3-2-4-8-15/h2-12,14,26H,13H2,1H3,(H,27,28,29)
InChIKeyZOTUYZYFIZFSNR-UHFFFAOYSA-N
MW498.95 g/mol
LogP3.83
Rot. Bonds9

About N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine

N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine (PubChem CID 21041379) has the molecular formula C22H19ClN6O4S and a molecular weight of 498.95 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine
PubChem CID21041379
Molecular FormulaC22H19ClN6O4S
Molecular Weight498.95 g/mol
Exact Mass498.09
IUPAC NameN-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2cnccn2)nc1NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C22H19ClN6O4S/c1-32-17-9-5-6-10-18(17)33-19-20(23)27-21(16-14-24-11-12-25-16)28-22(19)29-34(30,31)26-13-15-7-3-2-4-8-15/h2-12,14,26H,13H2,1H3,(H,27,28,29)
InChIKeyZOTUYZYFIZFSNR-UHFFFAOYSA-N
XLogP3.83
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.95
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine (CID 21041379) is N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine is COc1ccccc1Oc1c(Cl)nc(-c2cnccn2)nc1NS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine?
The InChIKey is ZOTUYZYFIZFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O4S/c1-32-17-9-5-6-10-18(17)33-19-20(23)27-21(16-14-24-11-12-25-16)28-22(19)29-34(30,31)26-13-15-7-3-2-4-8-15/h2-12,14,26H,13H2,1H3,(H,27,28,29).
What are the key properties of N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine?
N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine has a molecular weight of 498.95 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 21041379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).