1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide

C21H25N3O2S — CID 42283031

IUPAC1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2C)cc1
InChIInChI=1S/C21H25N3O2S/c1-3-4-8-18-11-13-20(14-12-18)23-27(25,26)21-16-24(22-17(21)2)15-19-9-6-5-7-10-19/h5-7,9-14,16,23H,3-4,8,15H2,1-2H3
InChIKeyFAAFDUSQIQAUJK-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.38
Rot. Bonds8

About 1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide

1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide (PubChem CID 42283031) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
PubChem CID42283031
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2C)cc1
InChIInChI=1S/C21H25N3O2S/c1-3-4-8-18-11-13-20(14-12-18)23-27(25,26)21-16-24(22-17(21)2)15-19-9-6-5-7-10-19/h5-7,9-14,16,23H,3-4,8,15H2,1-2H3
InChIKeyFAAFDUSQIQAUJK-UHFFFAOYSA-N
XLogP4.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42283121
1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42283116
1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 42283119
N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774401
1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42283111
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
CID 22205086
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
N-(4-butylphenyl)-2,4,5-trichlorobenzenesulfonamide
CID 22773924
N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22773854

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide (CID 42283031) is 1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide is CCCCc1ccc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2C)cc1.
What is the InChIKey of 1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide?
The InChIKey is FAAFDUSQIQAUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-3-4-8-18-11-13-20(14-12-18)23-27(25,26)21-16-24(22-17(21)2)15-19-9-6-5-7-10-19/h5-7,9-14,16,23H,3-4,8,15H2,1-2H3.
What are the key properties of 1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide?
1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide has a molecular weight of 383.52 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).