N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide

C18H19N3O2S — CID 13219968

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-14-8-10-17(11-9-14)24(22,23)20-18-12-15(2)19-21(18)13-16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3
InChIKeyINODTTYPVOYPRN-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.35
Rot. Bonds5

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

N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide (PubChem CID 13219968) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
PubChem CID13219968
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C18H19N3O2S/c1-14-8-10-17(11-9-14)24(22,23)20-18-12-15(2)19-21(18)13-16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3
InChIKeyINODTTYPVOYPRN-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide
CID 39854251
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
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
N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67647245
N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide
CID 169370080
N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55551193
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-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 1373136
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43052464
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide
CID 60571336

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide (CID 13219968) is N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)nn2Cc2ccccc2)cc1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is INODTTYPVOYPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-14-8-10-17(11-9-14)24(22,23)20-18-12-15(2)19-21(18)13-16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3.
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.35, 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-methylbenzenesulfonamide is sourced from PubChem (CID 13219968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).