1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide

C17H17N3O2S — CID 146592674

IUPAC1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide
SMILESN#CN1CCC(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C17H17N3O2S/c18-13-20-11-10-17(12-20)23(21,22)19-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17,19H,10-12H2
InChIKeyQDICTGLHTPMYLM-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.65
Rot. Bonds4

About 1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide

1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide (PubChem CID 146592674) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide
PubChem CID146592674
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide
SMILESN#CN1CCC(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C17H17N3O2S/c18-13-20-11-10-17(12-20)23(21,22)19-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17,19H,10-12H2
InChIKeyQDICTGLHTPMYLM-UHFFFAOYSA-N
XLogP2.65
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide 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 1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide?
The IUPAC name of 1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide (CID 146592674) is 1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide is N#CN1CCC(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide?
The InChIKey is QDICTGLHTPMYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c18-13-20-11-10-17(12-20)23(21,22)19-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17,19H,10-12H2.
What are the key properties of 1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide?
1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-phenylphenyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 146592674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).