N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

C13H18N2O3S — CID 6467110

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c16-13-8-4-10-15(13)11-5-9-14-19(17,18)12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeySPQHTJNHINFADA-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.98
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 6467110) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID6467110
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c16-13-8-4-10-15(13)11-5-9-14-19(17,18)12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2
InChIKeySPQHTJNHINFADA-UHFFFAOYSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Fluorophenyl)sulfonyl]-2-pyrrolidinone
CID 3161862
N~1~-cyclopentyl-N~2~-(phenylsulfonyl)alaninamide
CID 2957593
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 891761
4-fluoro-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 900413
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
N-[3-(1-azepanyl)-3-oxopropyl]benzenesulfonamide
CID 2977982
1-(Phenylsulfonyl)-2-pyrrolidinone
CID 667602
N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2985919
N-[3-(4-methyl-1-piperidinyl)-3-oxopropyl]benzenesulfonamide
CID 2537450
3-{[(4-Chlorophenyl)sulfonyl]amino}-1-pyrrolidinylpropan-1-one
CID 2238981
4-Chloro-N-(3-(2-oxopyrrolidin-1-yl)propyl)benzenesulfonamide
CID 2361133
2,4-difluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2409018

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 6467110) is N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is O=C1CCCN1CCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is SPQHTJNHINFADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-13-8-4-10-15(13)11-5-9-14-19(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-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 6467110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).