N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

C21H23FN4O4S — CID 55531902

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cnn(-c3ccccc3F)c2C)c1
InChIInChI=1S/C21H23FN4O4S/c1-4-25(5-2)31(29,30)15-10-11-20(27)18(12-15)24-21(28)16-13-23-26(14(16)3)19-9-7-6-8-17(19)22/h6-13,27H,4-5H2,1-3H3,(H,24,28)
InChIKeyZCTLTVKOGAIXHI-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.31
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 55531902) has the molecular formula C21H23FN4O4S and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID55531902
Molecular FormulaC21H23FN4O4S
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cnn(-c3ccccc3F)c2C)c1
InChIInChI=1S/C21H23FN4O4S/c1-4-25(5-2)31(29,30)15-10-11-20(27)18(12-15)24-21(28)16-13-23-26(14(16)3)19-9-7-6-8-17(19)22/h6-13,27H,4-5H2,1-3H3,(H,24,28)
InChIKeyZCTLTVKOGAIXHI-UHFFFAOYSA-N
XLogP3.31
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 134026070
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 30035073
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604738
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521747
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 134026230
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173
1-(2-fluorophenyl)-5-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide
CID 33398323
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521376
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 55531902) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cnn(-c3ccccc3F)c2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is ZCTLTVKOGAIXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S/c1-4-25(5-2)31(29,30)15-10-11-20(27)18(12-15)24-21(28)16-13-23-26(14(16)3)19-9-7-6-8-17(19)22/h6-13,27H,4-5H2,1-3H3,(H,24,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55531902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).