3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

C21H24N4O3S — CID 2360044

IUPAC3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c1
InChIInChI=1S/C21H24N4O3S/c1-4-24(5-2)29(27,28)19-13-9-10-17(15-19)21(26)22-20-14-16(3)23-25(20)18-11-7-6-8-12-18/h6-15H,4-5H2,1-3H3,(H,22,26)
InChIKeyQZXUFEYOLPTCNW-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.46
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (PubChem CID 2360044) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
PubChem CID2360044
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c1
InChIInChI=1S/C21H24N4O3S/c1-4-24(5-2)29(27,28)19-13-9-10-17(15-19)21(26)22-20-14-16(3)23-25(20)18-11-7-6-8-12-18/h6-15H,4-5H2,1-3H3,(H,22,26)
InChIKeyQZXUFEYOLPTCNW-UHFFFAOYSA-N
XLogP3.46
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(methylthio)benzamide
CID 135551751
4-(azepan-1-ylsulfonyl)-N-(1-phenylpyrazol-3-yl)benzamide
CID 2308367
3-methyl-N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392963
N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57396468
N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)-3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyrazole-4-carboxamide
CID 57398260
N-butan-2-yl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57399910
3-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57401682
N-cyclohexyl-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57401683
N-[(2S)-3,3-dimethylbutan-2-yl]-5-[(4-methylphenyl)sulfonylamino]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 57403416
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11462332

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (CID 2360044) is 3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The InChIKey is QZXUFEYOLPTCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-4-24(5-2)29(27,28)19-13-9-10-17(15-19)21(26)22-20-14-16(3)23-25(20)18-11-7-6-8-12-18/h6-15H,4-5H2,1-3H3,(H,22,26).
What are the key properties of 3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide has a molecular weight of 412.52 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 2360044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).