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

C17H26N2O3S — CID 22204003

IUPAC4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-3-14(2)15-7-9-16(10-8-15)23(21,22)18-11-5-13-19-12-4-6-17(19)20/h7-10,14,18H,3-6,11-13H2,1-2H3
InChIKeyGEWMGFAPTKPNTJ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.49
Rot. Bonds8

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

4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 22204003) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID22204003
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-3-14(2)15-7-9-16(10-8-15)23(21,22)18-11-5-13-19-12-4-6-17(19)20/h7-10,14,18H,3-6,11-13H2,1-2H3
InChIKeyGEWMGFAPTKPNTJ-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.49
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

4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
4-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 143457102
N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
CID 51075115
N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110611274
N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110610137
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 2466148
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674
4-[[5-bromo-4-[[(2R)-1-hydroxybutan-2-yl]amino]pyrimidin-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 58891127
4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide
CID 39667448
2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 60732446

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 22204003) is 4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1.
What is the InChIKey of 4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is GEWMGFAPTKPNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-14(2)15-7-9-16(10-8-15)23(21,22)18-11-5-13-19-12-4-6-17(19)20/h7-10,14,18H,3-6,11-13H2,1-2H3.
What are the key properties of 4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 22204003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).