5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide

C22H17ClN4O3S — CID 141132955

IUPAC5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide
SMILESNc1ccc(-c2c(S(=O)(=O)c3ccc(Cl)cc3)cnn2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-16-8-12-19(13-9-16)31(29,30)20-14-25-27(21(20)15-6-10-17(24)11-7-15)22(28)26-18-4-2-1-3-5-18/h1-14H,24H2,(H,26,28)
InChIKeyKEJNAALDTWHMSY-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.70
Rot. Bonds4

About 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide

5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide (PubChem CID 141132955) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide
PubChem CID141132955
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC Name5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide
SMILESNc1ccc(-c2c(S(=O)(=O)c3ccc(Cl)cc3)cnn2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-16-8-12-19(13-9-16)31(29,30)20-14-25-27(21(20)15-6-10-17(24)11-7-15)22(28)26-18-4-2-1-3-5-18/h1-14H,24H2,(H,26,28)
InChIKeyKEJNAALDTWHMSY-UHFFFAOYSA-N
XLogP4.70
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide 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 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide?
The IUPAC name of 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide (CID 141132955) is 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide is Nc1ccc(-c2c(S(=O)(=O)c3ccc(Cl)cc3)cnn2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide?
The InChIKey is KEJNAALDTWHMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c23-16-8-12-19(13-9-16)31(29,30)20-14-25-27(21(20)15-6-10-17(24)11-7-15)22(28)26-18-4-2-1-3-5-18/h1-14H,24H2,(H,26,28).
What are the key properties of 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide?
5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 141132955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).