1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide

C18H19ClN2O4S — CID 53166772

IUPAC1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCOc1ccc(N2CCC(NS(=O)(=O)Cc3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-25-15-8-6-14(7-9-15)21-11-10-17(18(21)22)20-26(23,24)12-13-4-2-3-5-16(13)19/h2-9,17,20H,10-12H2,1H3
InChIKeyLPNRZYSFPRNHRU-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.57
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide

1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 53166772) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID53166772
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCOc1ccc(N2CCC(NS(=O)(=O)Cc3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-25-15-8-6-14(7-9-15)21-11-10-17(18(21)22)20-26(23,24)12-13-4-2-3-5-16(13)19/h2-9,17,20H,10-12H2,1H3
InChIKeyLPNRZYSFPRNHRU-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110640625
N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide
CID 91911271
2-chloro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255094
2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 71838669
2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95101432
1-(2-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 86966765
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838569
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838498
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995
3-[2-(2-chlorophenyl)ethylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4106401
2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide
CID 71838586

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide (CID 53166772) is 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide is COc1ccc(N2CCC(NS(=O)(=O)Cc3ccccc3Cl)C2=O)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is LPNRZYSFPRNHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-25-15-8-6-14(7-9-15)21-11-10-17(18(21)22)20-26(23,24)12-13-4-2-3-5-16(13)19/h2-9,17,20H,10-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide?
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 53166772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).