3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide

C17H16ClFN2O4S — CID 71838569

IUPAC3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(c3ccc(F)cc3)C2=O)cc1Cl
InChIInChI=1S/C17H16ClFN2O4S/c1-25-16-7-6-13(10-14(16)18)26(23,24)20-15-8-9-21(17(15)22)12-4-2-11(19)3-5-12/h2-7,10,15,20H,8-9H2,1H3
InChIKeyHDEDXJDBWPHYFZ-UHFFFAOYSA-N
MW398.84 g/mol
LogP2.57
Rot. Bonds5

About 3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide

3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide (PubChem CID 71838569) has the molecular formula C17H16ClFN2O4S and a molecular weight of 398.84 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
PubChem CID71838569
Molecular FormulaC17H16ClFN2O4S
Molecular Weight398.84 g/mol
Exact Mass398.05
IUPAC Name3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(c3ccc(F)cc3)C2=O)cc1Cl
InChIInChI=1S/C17H16ClFN2O4S/c1-25-16-7-6-13(10-14(16)18)26(23,24)20-15-8-9-21(17(15)22)12-4-2-11(19)3-5-12/h2-7,10,15,20H,8-9H2,1H3
InChIKeyHDEDXJDBWPHYFZ-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 95101488
N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 95101484
2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide
CID 71838586
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838498
2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 71835736
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide
CID 71838507
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255063
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 71838519
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
CID 53166772
3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
CID 113092652
2-chloro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255094

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide (CID 71838569) is 3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(c3ccc(F)cc3)C2=O)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The InChIKey is HDEDXJDBWPHYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4S/c1-25-16-7-6-13(10-14(16)18)26(23,24)20-15-8-9-21(17(15)22)12-4-2-11(19)3-5-12/h2-7,10,15,20H,8-9H2,1H3.
What are the key properties of 3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide has a molecular weight of 398.84 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71838569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).