3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide

C22H24N4O3S — CID 55480080

IUPAC3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C22H24N4O3S/c1-14-9-15(2)11-19(10-14)26-21(12-16(3)24-26)23-22(27)17-5-4-6-20(13-17)30(28,29)25-18-7-8-18/h4-6,9-13,18,25H,7-8H2,1-3H3,(H,23,27)
InChIKeyWLNDEKGPHPMSOU-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.49
Rot. Bonds6

About 3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide

3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 55480080) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
PubChem CID55480080
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C22H24N4O3S/c1-14-9-15(2)11-19(10-14)26-21(12-16(3)24-26)23-22(27)17-5-4-6-20(13-17)30(28,29)25-18-7-8-18/h4-6,9-13,18,25H,7-8H2,1-3H3,(H,23,27)
InChIKeyWLNDEKGPHPMSOU-UHFFFAOYSA-N
XLogP3.49
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide
CID 55480738
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 86846328
3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 51953853
N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide
CID 26121096
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 47027818
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 112805705
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112805830
3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041364
3-[cyclohexyl(methyl)sulfamoyl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 55377924
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide (CID 55480080) is 3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide is Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is WLNDEKGPHPMSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14-9-15(2)11-19(10-14)26-21(12-16(3)24-26)23-22(27)17-5-4-6-20(13-17)30(28,29)25-18-7-8-18/h4-6,9-13,18,25H,7-8H2,1-3H3,(H,23,27).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide?
3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 424.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 55480080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).