N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide

C17H18N2O4S — CID 7564660

IUPACN-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCOc1ccc(N2C[C@@H](NS(=O)(=O)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C17H18N2O4S/c1-23-15-9-7-14(8-10-15)19-12-13(11-17(19)20)18-24(21,22)16-5-3-2-4-6-16/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1
InChIKeyVBNOPXKIWKCSNX-ZDUSSCGKSA-N
MW346.41 g/mol
LogP1.78
Rot. Bonds5

About N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide

N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 7564660) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID7564660
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCOc1ccc(N2C[C@@H](NS(=O)(=O)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C17H18N2O4S/c1-23-15-9-7-14(8-10-15)19-12-13(11-17(19)20)18-24(21,22)16-5-3-2-4-6-16/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1
InChIKeyVBNOPXKIWKCSNX-ZDUSSCGKSA-N
XLogP1.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 7564849
3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 16829562
4-fluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564615
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16829572
4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 7564855
3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564535
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736572
4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
CID 43971395
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 16829587

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (CID 7564660) is N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is COc1ccc(N2C[C@@H](NS(=O)(=O)c3ccccc3)CC2=O)cc1.
What is the InChIKey of N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is VBNOPXKIWKCSNX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-23-15-9-7-14(8-10-15)19-12-13(11-17(19)20)18-24(21,22)16-5-3-2-4-6-16/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 7564660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).