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

C20H22N4O3S — CID 39734609

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)ccc1C
InChIInChI=1S/C20H22N4O3S/c1-13-5-8-17(12-19(13)28(26,27)21-4)22-20(25)16-6-9-18(10-7-16)24-15(3)11-14(2)23-24/h5-12,21H,1-4H3,(H,22,25)
InChIKeyQVGPLWQOXGWAFQ-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.96
Rot. Bonds5

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

4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide (PubChem CID 39734609) 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-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
PubChem CID39734609
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)ccc1C
InChIInChI=1S/C20H22N4O3S/c1-13-5-8-17(12-19(13)28(26,27)21-4)22-20(25)16-6-9-18(10-7-16)24-15(3)11-14(2)23-24/h5-12,21H,1-4H3,(H,22,25)
InChIKeyQVGPLWQOXGWAFQ-UHFFFAOYSA-N
XLogP2.96
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26760146
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4162856
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate
CID 71910266
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(2-methylpropyl)benzamide
CID 9107411
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 86921766

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide (CID 39734609) is 4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide is CNS(=O)(=O)c1cc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)ccc1C.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is QVGPLWQOXGWAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-13-5-8-17(12-19(13)28(26,27)21-4)22-20(25)16-6-9-18(10-7-16)24-15(3)11-14(2)23-24/h5-12,21H,1-4H3,(H,22,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide has a molecular weight of 398.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 39734609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).