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

C17H17ClN2O4S — CID 16829572

IUPAC4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCOc1cccc(N2CC(NS(=O)(=O)c3ccc(Cl)cc3)CC2=O)c1
InChIInChI=1S/C17H17ClN2O4S/c1-24-15-4-2-3-14(10-15)20-11-13(9-17(20)21)19-25(22,23)16-7-5-12(18)6-8-16/h2-8,10,13,19H,9,11H2,1H3
InChIKeyKYVYJINFTLAAEP-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.43
Rot. Bonds5

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

4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 16829572) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID16829572
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCOc1cccc(N2CC(NS(=O)(=O)c3ccc(Cl)cc3)CC2=O)c1
InChIInChI=1S/C17H17ClN2O4S/c1-24-15-4-2-3-14(10-15)20-11-13(9-17(20)21)19-25(22,23)16-7-5-12(18)6-8-16/h2-8,10,13,19H,9,11H2,1H3
InChIKeyKYVYJINFTLAAEP-UHFFFAOYSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564615
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 7564849
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7564634
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 7564631
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 7564855
4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 43971454
4-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564803
3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 16829562
4-acetyl-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7256559

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (CID 16829572) is 4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is COc1cccc(N2CC(NS(=O)(=O)c3ccc(Cl)cc3)CC2=O)c1.
What is the InChIKey of 4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is KYVYJINFTLAAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-24-15-4-2-3-14(10-15)20-11-13(9-17(20)21)19-25(22,23)16-7-5-12(18)6-8-16/h2-8,10,13,19H,9,11H2,1H3.
What are the key properties of 4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 16829572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).