2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide

C19H21N3O2S — CID 22201917

IUPAC2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(Cn2ccc(NS(=O)(=O)c3ccc(C)cc3C)n2)cc1
InChIInChI=1S/C19H21N3O2S/c1-14-4-7-17(8-5-14)13-22-11-10-19(20-22)21-25(23,24)18-9-6-15(2)12-16(18)3/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeySYEUFVMIYLKYKR-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.66
Rot. Bonds5

About 2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide

2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 22201917) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID22201917
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(Cn2ccc(NS(=O)(=O)c3ccc(C)cc3C)n2)cc1
InChIInChI=1S/C19H21N3O2S/c1-14-4-7-17(8-5-14)13-22-11-10-19(20-22)21-25(23,24)18-9-6-15(2)12-16(18)3/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeySYEUFVMIYLKYKR-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202093
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22206528
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22204982
2,5-difluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201923
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide
CID 22203546
N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22201934
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22206577
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022917
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22203620

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide (CID 22201917) is 2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide is Cc1ccc(Cn2ccc(NS(=O)(=O)c3ccc(C)cc3C)n2)cc1.
What is the InChIKey of 2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is SYEUFVMIYLKYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-4-7-17(8-5-14)13-22-11-10-19(20-22)21-25(23,24)18-9-6-15(2)12-16(18)3/h4-12H,13H2,1-3H3,(H,20,21).
What are the key properties of 2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22201917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).