2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide

C22H23ClN4O4S — CID 166327245

IUPAC2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(-c3ccc(OC)cc3)ncn2)c1
InChIInChI=1S/C22H23ClN4O4S/c1-4-27(5-2)32(29,30)17-10-11-19(23)18(12-17)22(28)26-21-13-20(24-14-25-21)15-6-8-16(31-3)9-7-15/h6-14H,4-5H2,1-3H3,(H,24,25,26,28)
InChIKeySPYLVZRHHDXLLU-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.09
Rot. Bonds8

About 2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide

2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide (PubChem CID 166327245) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
PubChem CID166327245
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(-c3ccc(OC)cc3)ncn2)c1
InChIInChI=1S/C22H23ClN4O4S/c1-4-27(5-2)32(29,30)17-10-11-19(23)18(12-17)22(28)26-21-13-20(24-14-25-21)15-6-8-16(31-3)9-7-15/h6-14H,4-5H2,1-3H3,(H,24,25,26,28)
InChIKeySPYLVZRHHDXLLU-UHFFFAOYSA-N
XLogP4.09
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 166327221
2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 26883565
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 4171071
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526
methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate
CID 155970115
2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 46387538
5-chloro-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 55343210
2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide
CID 38276554
N,N-diethyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide
CID 58560869
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2547825
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide (CID 166327245) is 2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(-c3ccc(OC)cc3)ncn2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
The InChIKey is SPYLVZRHHDXLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c1-4-27(5-2)32(29,30)17-10-11-19(23)18(12-17)22(28)26-21-13-20(24-14-25-21)15-6-8-16(31-3)9-7-15/h6-14H,4-5H2,1-3H3,(H,24,25,26,28).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide?
2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide has a molecular weight of 474.97 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 166327245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).