2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

C14H20N2O4S — CID 51097874

IUPAC2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C14H20N2O4S/c1-11(14(17)16-9-5-6-10-16)15-21(18,19)13-8-4-3-7-12(13)20-2/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3
InChIKeyDFSPGDHFEZFMCC-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.98
Rot. Bonds5

About 2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide

2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 51097874) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID51097874
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C14H20N2O4S/c1-11(14(17)16-9-5-6-10-16)15-21(18,19)13-8-4-3-7-12(13)20-2/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3
InChIKeyDFSPGDHFEZFMCC-UHFFFAOYSA-N
XLogP0.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94799743
2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347501
methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639230
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 134025737
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 27734150
2-(2-methoxyphenoxy)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 110347464
5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51130079
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 18108558
2-methoxy-5-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 43888990

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide (CID 51097874) is 2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is COc1ccccc1S(=O)(=O)NC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is DFSPGDHFEZFMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11(14(17)16-9-5-6-10-16)15-21(18,19)13-8-4-3-7-12(13)20-2/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3.
What are the key properties of 2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide?
2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 51097874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).