4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide

C18H24N6O3S — CID 90543760

IUPAC4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESCN1CCN(c2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ncn2)CC1
InChIInChI=1S/C18H24N6O3S/c1-22(2)28(26,27)15-6-4-14(5-7-15)18(25)21-16-12-17(20-13-19-16)24-10-8-23(3)9-11-24/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21,25)
InChIKeyVAMLJPIXRYXXBJ-UHFFFAOYSA-N
MW404.50 g/mol
LogP0.73
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide

4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide (PubChem CID 90543760) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
PubChem CID90543760
Molecular FormulaC18H24N6O3S
Molecular Weight404.50 g/mol
Exact Mass404.16
IUPAC Name4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESCN1CCN(c2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ncn2)CC1
InChIInChI=1S/C18H24N6O3S/c1-22(2)28(26,27)15-6-4-14(5-7-15)18(25)21-16-12-17(20-13-19-16)24-10-8-23(3)9-11-24/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21,25)
InChIKeyVAMLJPIXRYXXBJ-UHFFFAOYSA-N
XLogP0.73
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-nitrobenzamide
CID 90543897
N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544462
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2H-benzotriazole-5-carboxamide
CID 90543955
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
N-(6-morpholin-4-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544119
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
CID 90543989
2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide
CID 90543838
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
CID 90543921

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide (CID 90543760) is 4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide is CN1CCN(c2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ncn2)CC1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The InChIKey is VAMLJPIXRYXXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3S/c1-22(2)28(26,27)15-6-4-14(5-7-15)18(25)21-16-12-17(20-13-19-16)24-10-8-23(3)9-11-24/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21,25).
What are the key properties of 4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide has a molecular weight of 404.50 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 90543760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).