4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide

C16H17N3O3S — CID 164619903

IUPAC4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C16H17N3O3S/c17-23(21,22)14-8-6-12(7-9-14)18-15-10-11-19(16(15)20)13-4-2-1-3-5-13/h1-9,15,18H,10-11H2,(H2,17,21,22)
InChIKeyGMEWFLAMITTXEF-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.55
Rot. Bonds4

About 4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide

4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide (PubChem CID 164619903) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide
PubChem CID164619903
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C16H17N3O3S/c17-23(21,22)14-8-6-12(7-9-14)18-15-10-11-19(16(15)20)13-4-2-1-3-5-13/h1-9,15,18H,10-11H2,(H2,17,21,22)
InChIKeyGMEWFLAMITTXEF-UHFFFAOYSA-N
XLogP1.55
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide (CID 164619903) is 4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NC2CCN(c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide?
The InChIKey is GMEWFLAMITTXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c17-23(21,22)14-8-6-12(7-9-14)18-15-10-11-19(16(15)20)13-4-2-1-3-5-13/h1-9,15,18H,10-11H2,(H2,17,21,22).
What are the key properties of 4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide?
4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 164619903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).