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

C15H22N2O5S — CID 6470989

IUPAC3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1OC
InChIInChI=1S/C15H22N2O5S/c1-21-13-7-6-12(11-14(13)22-2)23(19,20)16-8-4-10-17-9-3-5-15(17)18/h6-7,11,16H,3-5,8-10H2,1-2H3
InChIKeyOBCLVHRUSALBLQ-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.99
Rot. Bonds8

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

3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 6470989) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID6470989
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1OC
InChIInChI=1S/C15H22N2O5S/c1-21-13-7-6-12(11-14(13)22-2)23(19,20)16-8-4-10-17-9-3-5-15(17)18/h6-7,11,16H,3-5,8-10H2,1-2H3
InChIKeyOBCLVHRUSALBLQ-UHFFFAOYSA-N
XLogP0.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 6470989) is 3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is OBCLVHRUSALBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-21-13-7-6-12(11-14(13)22-2)23(19,20)16-8-4-10-17-9-3-5-15(17)18/h6-7,11,16H,3-5,8-10H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 6470989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).