4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

C21H18N4O2S — CID 10916150

IUPAC4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESNc1cccc(-c2ccc(S(=O)(=O)Nc3ccnn3-c3ccccc3)cc2)c1
InChIInChI=1S/C21H18N4O2S/c22-18-6-4-5-17(15-18)16-9-11-20(12-10-16)28(26,27)24-21-13-14-23-25(21)19-7-2-1-3-8-19/h1-15,24H,22H2
InChIKeyHFOVGZDAQJHROY-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.92
Rot. Bonds5

About 4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 10916150) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID10916150
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESNc1cccc(-c2ccc(S(=O)(=O)Nc3ccnn3-c3ccccc3)cc2)c1
InChIInChI=1S/C21H18N4O2S/c22-18-6-4-5-17(15-18)16-9-11-20(12-10-16)28(26,27)24-21-13-14-23-25(21)19-7-2-1-3-8-19/h1-15,24H,22H2
InChIKeyHFOVGZDAQJHROY-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
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
4-[({[1-(1-naphthylmethyl)-1H-pyrazol-3-yl]amino}carbonothioyl)amino]benzenesulfonamide
CID 2207017
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 5497333
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 5508897
4-Azido-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 10617103
4-Dimethylamino-N-[4-(5-methylamino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-benzenesulfonamide
CID 44312707

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (CID 10916150) is 4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is Nc1cccc(-c2ccc(S(=O)(=O)Nc3ccnn3-c3ccccc3)cc2)c1.
What is the InChIKey of 4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is HFOVGZDAQJHROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c22-18-6-4-5-17(15-18)16-9-11-20(12-10-16)28(26,27)24-21-13-14-23-25(21)19-7-2-1-3-8-19/h1-15,24H,22H2.
What are the key properties of 4-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
4-(3-aminophenyl)-N-(2-phenylpyrazol-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-(3-aminophenyl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 10916150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).