2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C18H19N3O2S — CID 46329426

IUPAC2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)n[nH]1
InChIInChI=1S/C18H19N3O2S/c1-12-6-4-5-7-16(12)21-24(22,23)18-11-15(9-8-13(18)2)17-10-14(3)19-20-17/h4-11,21H,1-3H3,(H,19,20)
InChIKeyOJKGJFODBKYQCY-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.80
Rot. Bonds4

About 2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 46329426) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID46329426
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)n[nH]1
InChIInChI=1S/C18H19N3O2S/c1-12-6-4-5-7-16(12)21-24(22,23)18-11-15(9-8-13(18)2)17-10-14(3)19-20-17/h4-11,21H,1-3H3,(H,19,20)
InChIKeyOJKGJFODBKYQCY-UHFFFAOYSA-N
XLogP3.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 15560939
N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 45106866
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3581351
7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758925
4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732621
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 37194892
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 53004371
2-methyl-5-(4-oxo-3H-phthalazin-1-yl)-N-phenylbenzenesulfonamide
CID 1345082
3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 50751687
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 46329426) is 2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)n[nH]1.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is OJKGJFODBKYQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-6-4-5-7-16(12)21-24(22,23)18-11-15(9-8-13(18)2)17-10-14(3)19-20-17/h4-11,21H,1-3H3,(H,19,20).
What are the key properties of 2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 46329426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).