N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide

C14H23N3O2S — CID 65418121

IUPACN-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)C2CCNC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-3-17(4-2)13-7-5-12(6-8-13)16-20(18,19)14-9-10-15-11-14/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyJPVZGIMHIREKMB-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.64
Rot. Bonds6

About N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide

N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide (PubChem CID 65418121) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide
PubChem CID65418121
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)C2CCNC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-3-17(4-2)13-7-5-12(6-8-13)16-20(18,19)14-9-10-15-11-14/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyJPVZGIMHIREKMB-UHFFFAOYSA-N
XLogP1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)phenyl]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 N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide?
The IUPAC name of N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide (CID 65418121) is N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide is CCN(CC)c1ccc(NS(=O)(=O)C2CCNC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide?
The InChIKey is JPVZGIMHIREKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-17(4-2)13-7-5-12(6-8-13)16-20(18,19)14-9-10-15-11-14/h5-8,14-16H,3-4,9-11H2,1-2H3.
What are the key properties of N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide?
N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65418121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).