N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C13H18N2O3S — CID 2978208

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C13H18N2O3S/c16-13(15-10-4-5-11-15)8-9-14-19(17,18)12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeyKMKCUOOWDBRANW-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.98
Rot. Bonds5

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 2978208) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID2978208
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C13H18N2O3S/c16-13(15-10-4-5-11-15)8-9-14-19(17,18)12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeyKMKCUOOWDBRANW-UHFFFAOYSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 2978208) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is KMKCUOOWDBRANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-13(15-10-4-5-11-15)8-9-14-19(17,18)12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2.
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2978208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).