N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide

C22H17Cl2N5O4S — CID 53432872

IUPACN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(N(C=O)c3c(-c4c(Cl)cccc4Cl)noc3C)cc2)n1
InChIInChI=1S/C22H17Cl2N5O4S/c1-13-10-11-25-22(26-13)28-34(31,32)16-8-6-15(7-9-16)29(12-30)21-14(2)33-27-20(21)19-17(23)4-3-5-18(19)24/h3-12H,1-2H3,(H,25,26,28)
InChIKeyZNHPPCUIWQJALL-UHFFFAOYSA-N
MW518.38 g/mol
LogP5.15
Rot. Bonds7

About N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide

N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide (PubChem CID 53432872) has the molecular formula C22H17Cl2N5O4S and a molecular weight of 518.38 g/mol. Its IUPAC name is N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide.

Molecular Properties

Compound NameN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide
PubChem CID53432872
Molecular FormulaC22H17Cl2N5O4S
Molecular Weight518.38 g/mol
Exact Mass517.04
IUPAC NameN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(N(C=O)c3c(-c4c(Cl)cccc4Cl)noc3C)cc2)n1
InChIInChI=1S/C22H17Cl2N5O4S/c1-13-10-11-25-22(26-13)28-34(31,32)16-8-6-15(7-9-16)29(12-30)21-14(2)33-27-20(21)19-17(23)4-3-5-18(19)24/h3-12H,1-2H3,(H,25,26,28)
InChIKeyZNHPPCUIWQJALL-UHFFFAOYSA-N
XLogP5.15
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide?
The IUPAC name of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide (CID 53432872) is N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide.
What is the SMILES notation for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide?
The canonical SMILES for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide is Cc1ccnc(NS(=O)(=O)c2ccc(N(C=O)c3c(-c4c(Cl)cccc4Cl)noc3C)cc2)n1.
What is the InChIKey of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide?
The InChIKey is ZNHPPCUIWQJALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O4S/c1-13-10-11-25-22(26-13)28-34(31,32)16-8-6-15(7-9-16)29(12-30)21-14(2)33-27-20(21)19-17(23)4-3-5-18(19)24/h3-12H,1-2H3,(H,25,26,28).
What are the key properties of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide?
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide has a molecular weight of 518.38 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]formamide is sourced from PubChem (CID 53432872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).