N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

C24H23N3O2S — CID 67647245

IUPACN-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C24H23N3O2S/c1-18-13-15-21(16-14-18)23-19(2)27(17-20-9-5-3-6-10-20)25-24(23)26-30(28,29)22-11-7-4-8-12-22/h3-16H,17H2,1-2H3,(H,25,26)
InChIKeyKDXYSRVNWVQVER-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.02
Rot. Bonds6

About N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67647245) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67647245
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C24H23N3O2S/c1-18-13-15-21(16-14-18)23-19(2)27(17-20-9-5-3-6-10-20)25-24(23)26-30(28,29)22-11-7-4-8-12-22/h3-16H,17H2,1-2H3,(H,25,26)
InChIKeyKDXYSRVNWVQVER-UHFFFAOYSA-N
XLogP5.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.02
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-[1-benzyl-4-(4-chlorophenyl)-5-(phenylmethoxymethyl)pyrazol-3-yl]benzenesulfonamide
CID 67645677
N-[1-(cyanomethyl)-4-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67646264
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22203047
N-[4-(4-chlorophenyl)-1-(2-phenylethyl)-5-(phenylmethoxymethyl)pyrazol-3-yl]benzenesulfonamide
CID 67646083
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide
CID 169370080
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
CID 19577913
N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide
CID 141482670
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658
N-[4-(4-chlorophenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67646351

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (CID 67647245) is N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is Cc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(Cc3ccccc3)c2C)cc1.
What is the InChIKey of N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is KDXYSRVNWVQVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-18-13-15-21(16-14-18)23-19(2)27(17-20-9-5-3-6-10-20)25-24(23)26-30(28,29)22-11-7-4-8-12-22/h3-16H,17H2,1-2H3,(H,25,26).
What are the key properties of N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67647245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).