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

C17H26N2O3S — CID 3738166

IUPAC4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-2-3-6-15-8-10-16(11-9-15)23(21,22)18-12-5-14-19-13-4-7-17(19)20/h8-11,18H,2-7,12-14H2,1H3
InChIKeyNSBJMOSIILDPNH-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.32
Rot. Bonds9

About 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 3738166) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID3738166
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-2-3-6-15-8-10-16(11-9-15)23(21,22)18-12-5-14-19-13-4-7-17(19)20/h8-11,18H,2-7,12-14H2,1H3
InChIKeyNSBJMOSIILDPNH-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 3738166) is 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is CCCCc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1.
What is the InChIKey of 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is NSBJMOSIILDPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-3-6-15-8-10-16(11-9-15)23(21,22)18-12-5-14-19-13-4-7-17(19)20/h8-11,18H,2-7,12-14H2,1H3.
What are the key properties of 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 3738166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).