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

C15H14N4O2S — CID 19355772

IUPAC4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESNc1ccc(-c2cn[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H14N4O2S/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(8-4-11)22(17,20)21/h1-9H,16H2,(H,18,19)(H2,17,20,21)
InChIKeyVBOPZJSKRWUHPL-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.97
Rot. Bonds3

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

4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide (PubChem CID 19355772) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
PubChem CID19355772
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESNc1ccc(-c2cn[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H14N4O2S/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(8-4-11)22(17,20)21/h1-9H,16H2,(H,18,19)(H2,17,20,21)
InChIKeyVBOPZJSKRWUHPL-UHFFFAOYSA-N
XLogP1.97
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide (CID 19355772) is 4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide is Nc1ccc(-c2cn[nH]c2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The InChIKey is VBOPZJSKRWUHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(8-4-11)22(17,20)21/h1-9H,16H2,(H,18,19)(H2,17,20,21).
What are the key properties of 4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 19355772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).