N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide

C15H14N4O2S — CID 67646526

IUPACN-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESNc1ccc(-c2cn[nH]c2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14N4O2S/c16-12-8-6-11(7-9-12)14-10-17-18-15(14)19-22(20,21)13-4-2-1-3-5-13/h1-10H,16H2,(H2,17,18,19)
InChIKeyAYVVKMBYAWVMPK-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.46
Rot. Bonds4

About N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide

N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide (PubChem CID 67646526) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
PubChem CID67646526
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESNc1ccc(-c2cn[nH]c2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14N4O2S/c16-12-8-6-11(7-9-12)14-10-17-18-15(14)19-22(20,21)13-4-2-1-3-5-13/h1-10H,16H2,(H2,17,18,19)
InChIKeyAYVVKMBYAWVMPK-UHFFFAOYSA-N
XLogP2.46
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide (CID 67646526) is N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide is Nc1ccc(-c2cn[nH]c2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The InChIKey is AYVVKMBYAWVMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c16-12-8-6-11(7-9-12)14-10-17-18-15(14)19-22(20,21)13-4-2-1-3-5-13/h1-10H,16H2,(H2,17,18,19).
What are the key properties of N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67646526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).