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

C20H22N4O3S — CID 3564710

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2)n1
InChIInChI=1S/C20H22N4O3S/c1-14-12-15(2)24(22-14)18-10-8-16(9-11-18)20(25)21-17-6-5-7-19(13-17)28(26,27)23(3)4/h5-13H,1-4H3,(H,21,25)
InChIKeyMGEOIRFAPWWGPC-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.99
Rot. Bonds5

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

4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide (PubChem CID 3564710) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
PubChem CID3564710
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2)n1
InChIInChI=1S/C20H22N4O3S/c1-14-12-15(2)24(22-14)18-10-8-16(9-11-18)20(25)21-17-6-5-7-19(13-17)28(26,27)23(3)4/h5-13H,1-4H3,(H,21,25)
InChIKeyMGEOIRFAPWWGPC-UHFFFAOYSA-N
XLogP2.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.99
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)phenyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide (CID 3564710) is 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
The InChIKey is MGEOIRFAPWWGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-12-15(2)24(22-14)18-10-8-16(9-11-18)20(25)21-17-6-5-7-19(13-17)28(26,27)23(3)4/h5-13H,1-4H3,(H,21,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide has a molecular weight of 398.49 g/mol, XLogP of 2.99, 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)phenyl]benzamide is sourced from PubChem (CID 3564710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).