N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide

C18H19ClN2O4S — CID 16919719

IUPACN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-25-16-6-8-17(9-7-16)26(23,24)20-11-13-10-18(22)21(12-13)15-4-2-14(19)3-5-15/h2-9,13,20H,10-12H2,1H3
InChIKeyCQUPNFBJSVDSPF-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.68
Rot. Bonds6

About N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide

N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 16919719) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide
PubChem CID16919719
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-25-16-6-8-17(9-7-16)26(23,24)20-11-13-10-18(22)21(12-13)15-4-2-14(19)3-5-15/h2-9,13,20H,10-12H2,1H3
InChIKeyCQUPNFBJSVDSPF-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919759
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919756
N-[4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylsulfamoyl]phenyl]acetamide
CID 16919601
4-chloro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912142
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919718
4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911707
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 7564849
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40911982
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 16919591
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 40911892
2,4-difluoro-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919615
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide (CID 16919719) is N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CC(=O)N(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is CQUPNFBJSVDSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-25-16-6-8-17(9-7-16)26(23,24)20-11-13-10-18(22)21(12-13)15-4-2-14(19)3-5-15/h2-9,13,20H,10-12H2,1H3.
What are the key properties of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 16919719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).