N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide

C21H25N3O2S — CID 39854251

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(Cc2ccccc2)n1
InChIInChI=1S/C21H25N3O2S/c1-16-14-20(24(22-16)15-17-8-6-5-7-9-17)23-27(25,26)19-12-10-18(11-13-19)21(2,3)4/h5-14,23H,15H2,1-4H3
InChIKeyMJYRWIRTSGRHEA-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.34
Rot. Bonds5

About N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide

N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide (PubChem CID 39854251) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide
PubChem CID39854251
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(Cc2ccccc2)n1
InChIInChI=1S/C21H25N3O2S/c1-16-14-20(24(22-16)15-17-8-6-5-7-9-17)23-27(25,26)19-12-10-18(11-13-19)21(2,3)4/h5-14,23H,15H2,1-4H3
InChIKeyMJYRWIRTSGRHEA-UHFFFAOYSA-N
XLogP4.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 60571228
(E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide
CID 166403503
4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide
CID 71731689
N-[6-(benzylamino)pyridazin-3-yl]-4-tert-butylbenzenesulfonamide
CID 113040855
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
N-(2-benzyl-5-methylpyrazol-3-yl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 60571257
N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 43052469
N-[2-(4-aminoisoquinolin-1-yl)-5-methylpyrazol-3-yl]-4-tert-butylbenzenesulfonamide
CID 121263878
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43052464
N-(2-benzyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35537538

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide (CID 39854251) is N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide?
The InChIKey is MJYRWIRTSGRHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-16-14-20(24(22-16)15-17-8-6-5-7-9-17)23-27(25,26)19-12-10-18(11-13-19)21(2,3)4/h5-14,23H,15H2,1-4H3.
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide has a molecular weight of 383.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 39854251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).