4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide

C21H18N4O2S — CID 162654976

IUPAC4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H18N4O2S/c22-18-8-12-20(13-9-18)28(26,27)24-21-14-15-23-25(21)19-10-6-17(7-11-19)16-4-2-1-3-5-16/h1-15,24H,22H2
InChIKeyNIJFKIXGKWAUNP-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.92
Rot. Bonds5

About 4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide

4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 162654976) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID162654976
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H18N4O2S/c22-18-8-12-20(13-9-18)28(26,27)24-21-14-15-23-25(21)19-10-6-17(7-11-19)16-4-2-1-3-5-16/h1-15,24H,22H2
InChIKeyNIJFKIXGKWAUNP-UHFFFAOYSA-N
XLogP3.92
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sulfaphenazole
CID 5335
4-methyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 10245060
N,4-Dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 447297
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-benzenesulfonamide
CID 10111849
4-Allyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 11013215
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-4-nitro-benzenesulfonamide
CID 12018679
4-Amino-N-[4-(5-amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-benzenesulfonamide
CID 12018680
5-(4-Methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine
CID 53311396
N4-Acetylsulfaphenazole
CID 3083651
4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide
CID 11100382
4-[({[1-(1-naphthylmethyl)-1H-pyrazol-3-yl]amino}carbonothioyl)amino]benzenesulfonamide
CID 2207017
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 5508897

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide (CID 162654976) is 4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is NIJFKIXGKWAUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c22-18-8-12-20(13-9-18)28(26,27)24-21-14-15-23-25(21)19-10-6-17(7-11-19)16-4-2-1-3-5-16/h1-15,24H,22H2.
What are the key properties of 4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide?
4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-phenylphenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 162654976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).