N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide

C17H17N3O2S — CID 20914791

IUPACN-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c(C)c1
InChIInChI=1S/C17H17N3O2S/c1-13-4-9-17(14(2)12-13)19-23(21,22)16-7-5-15(6-8-16)20-11-3-10-18-20/h3-12,19H,1-2H3
InChIKeyPEFBYUKIZKHWOP-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.29
Rot. Bonds4

About N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914791) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914791
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c(C)c1
InChIInChI=1S/C17H17N3O2S/c1-13-4-9-17(14(2)12-13)19-23(21,22)16-7-5-15(6-8-16)20-11-3-10-18-20/h3-12,19H,1-2H3
InChIKeyPEFBYUKIZKHWOP-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 20914791) is N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is PEFBYUKIZKHWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-13-4-9-17(14(2)12-13)19-23(21,22)16-7-5-15(6-8-16)20-11-3-10-18-20/h3-12,19H,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).