N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide

C19H22N6O3S — CID 2330766

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1
InChIInChI=1S/C19H22N6O3S/c1-12-9-13(2)21-19(20-12)25-17(10-14(3)23-25)22-18(26)15-7-6-8-16(11-15)29(27,28)24(4)5/h6-11H,1-5H3,(H,22,26)
InChIKeyKKYTZQONTAKQLX-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 2330766) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
PubChem CID2330766
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1
InChIInChI=1S/C19H22N6O3S/c1-12-9-13(2)21-19(20-12)25-17(10-14(3)23-25)22-18(26)15-7-6-8-16(11-15)29(27,28)24(4)5/h6-11H,1-5H3,(H,22,26)
InChIKeyKKYTZQONTAKQLX-UHFFFAOYSA-N
XLogP2.09
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide (CID 2330766) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is KKYTZQONTAKQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-12-9-13(2)21-19(20-12)25-17(10-14(3)23-25)22-18(26)15-7-6-8-16(11-15)29(27,28)24(4)5/h6-11H,1-5H3,(H,22,26).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 414.49 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2330766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).