4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide

C17H18N4O2S — CID 154087916

IUPAC4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(N)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H18N4O2S/c1-2-14-12-17(21(19-14)15-6-4-3-5-7-15)20-24(22,23)16-10-8-13(18)9-11-16/h3-12,20H,2,18H2,1H3
InChIKeyGFJNWYBBKGSEAN-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.82
Rot. Bonds5

About 4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide

4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide (PubChem CID 154087916) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide
PubChem CID154087916
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(N)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H18N4O2S/c1-2-14-12-17(21(19-14)15-6-4-3-5-7-15)20-24(22,23)16-10-8-13(18)9-11-16/h3-12,20H,2,18H2,1H3
InChIKeyGFJNWYBBKGSEAN-UHFFFAOYSA-N
XLogP2.82
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide 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 4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide (CID 154087916) is 4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccc(N)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is GFJNWYBBKGSEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-2-14-12-17(21(19-14)15-6-4-3-5-7-15)20-24(22,23)16-10-8-13(18)9-11-16/h3-12,20H,2,18H2,1H3.
What are the key properties of 4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide?
4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethyl-1-phenylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 154087916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).