5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide

C20H21ClN4O4S — CID 25199289

IUPAC5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O4S/c1-29-13-5-12-22-20(26)18-14-23-25(16-6-3-2-4-7-16)19(18)24-30(27,28)17-10-8-15(21)9-11-17/h2-4,6-11,14,24H,5,12-13H2,1H3,(H,22,26)
InChIKeyHRZQZGRIIXTZBX-UHFFFAOYSA-N
MW448.93 g/mol
LogP3.09
Rot. Bonds9

About 5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide

5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 25199289) has the molecular formula C20H21ClN4O4S and a molecular weight of 448.93 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
PubChem CID25199289
Molecular FormulaC20H21ClN4O4S
Molecular Weight448.93 g/mol
Exact Mass448.10
IUPAC Name5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O4S/c1-29-13-5-12-22-20(26)18-14-23-25(16-6-3-2-4-7-16)19(18)24-30(27,28)17-10-8-15(21)9-11-17/h2-4,6-11,14,24H,5,12-13H2,1H3,(H,22,26)
InChIKeyHRZQZGRIIXTZBX-UHFFFAOYSA-N
XLogP3.09
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57399909
3-Anilino-1-[1-(3-chlorophenyl)sulfonyl-4-(cyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 90331845
4-(5-(4-Chlorophenyl)-6-methyl-4-oxo-4,5-dihydropyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 44442431
3-(5-(4-Chlorophenyl)-6-methyl-4-oxo-4,5-dihydropyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 23655076
5-amino-N-[2-[[ethyl-(4-fluorophenyl)sulfonylamino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 45268475
N-hexan-3-yl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392882
N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392871
N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57394598
3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57394706
5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57398166
5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57399796
1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
CID 57401680

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide (CID 25199289) is 5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide is COCCCNC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is HRZQZGRIIXTZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S/c1-29-13-5-12-22-20(26)18-14-23-25(16-6-3-2-4-7-16)19(18)24-30(27,28)17-10-8-15(21)9-11-17/h2-4,6-11,14,24H,5,12-13H2,1H3,(H,22,26).
What are the key properties of 5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide?
5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 448.93 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 25199289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).