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

C17H18N4O2S — CID 11078396

IUPAC4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C17H18N4O2S/c1-2-20(24(22,23)16-10-8-14(18)9-11-16)17-12-13-19-21(17)15-6-4-3-5-7-15/h3-13H,2,18H2,1H3
InChIKeyFBOMGZSDZMQJJV-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.67
Rot. Bonds5

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

4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 11078396) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID11078396
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C17H18N4O2S/c1-2-20(24(22,23)16-10-8-14(18)9-11-16)17-12-13-19-21(17)15-6-4-3-5-7-15/h3-13H,2,18H2,1H3
InChIKeyFBOMGZSDZMQJJV-UHFFFAOYSA-N
XLogP2.67
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.67
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-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (CID 11078396) is 4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is FBOMGZSDZMQJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-2-20(24(22,23)16-10-8-14(18)9-11-16)17-12-13-19-21(17)15-6-4-3-5-7-15/h3-13H,2,18H2,1H3.
What are the key properties of 4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 11078396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).