4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

C22H20N4O2S — CID 10894740

IUPAC4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C22H20N4O2S/c23-19-11-13-21(14-12-19)29(27,28)25(17-18-7-3-1-4-8-18)22-15-16-24-26(22)20-9-5-2-6-10-20/h1-16H,17,23H2
InChIKeyRZNOSQYKLNIZOW-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.85
Rot. Bonds6

About 4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 10894740) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID10894740
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C22H20N4O2S/c23-19-11-13-21(14-12-19)29(27,28)25(17-18-7-3-1-4-8-18)22-15-16-24-26(22)20-9-5-2-6-10-20/h1-16H,17,23H2
InChIKeyRZNOSQYKLNIZOW-UHFFFAOYSA-N
XLogP3.85
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (CID 10894740) is 4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccnn2-c2ccccc2)cc1.
What is the InChIKey of 4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is RZNOSQYKLNIZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c23-19-11-13-21(14-12-19)29(27,28)25(17-18-7-3-1-4-8-18)22-15-16-24-26(22)20-9-5-2-6-10-20/h1-16H,17,23H2.
What are the key properties of 4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 10894740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).