4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide

C21H24N4O3S — CID 4290489

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cc2)n1
InChIInChI=1S/C21H24N4O3S/c1-14-6-9-18(13-20(14)29(27,28)24(4)5)22-21(26)17-7-10-19(11-8-17)25-16(3)12-15(2)23-25/h6-13H,1-5H3,(H,22,26)
InChIKeyZWNSJUIOJSMOOD-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.30
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide (PubChem CID 4290489) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
PubChem CID4290489
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cc2)n1
InChIInChI=1S/C21H24N4O3S/c1-14-6-9-18(13-20(14)29(27,28)24(4)5)22-21(26)17-7-10-19(11-8-17)25-16(3)12-15(2)23-25/h6-13H,1-5H3,(H,22,26)
InChIKeyZWNSJUIOJSMOOD-UHFFFAOYSA-N
XLogP3.30
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide (CID 4290489) is 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide?
The InChIKey is ZWNSJUIOJSMOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-6-9-18(13-20(14)29(27,28)24(4)5)22-21(26)17-7-10-19(11-8-17)25-16(3)12-15(2)23-25/h6-13H,1-5H3,(H,22,26).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide has a molecular weight of 412.52 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide is sourced from PubChem (CID 4290489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).