[1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C14H19ClN2O3S — CID 168680284

IUPAC[1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C14H19ClN2O3S/c1-2-13(11-3-5-12(15)6-4-11)17-8-10(7-14(17)18)9-21(16,19)20/h3-6,10,13H,2,7-9H2,1H3,(H2,16,19,20)
InChIKeyOKBHYRSQNVJEKM-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.93
Rot. Bonds5

About [1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680284) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is [1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680284
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name[1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C14H19ClN2O3S/c1-2-13(11-3-5-12(15)6-4-11)17-8-10(7-14(17)18)9-21(16,19)20/h3-6,10,13H,2,7-9H2,1H3,(H2,16,19,20)
InChIKeyOKBHYRSQNVJEKM-UHFFFAOYSA-N
XLogP1.93
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 168680295
[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680344
3-(3-methylphenyl)-3-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]propanoic acid
CID 168680363
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-(4-chlorophenyl)propanoic acid
CID 168506716
[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168680206
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680303
1-[1-(4-chlorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669235
[1-(4-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682685
[1-(5-chloro-2-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682419

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680284) is [1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is CCC(c1ccc(Cl)cc1)N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is OKBHYRSQNVJEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-2-13(11-3-5-12(15)6-4-11)17-8-10(7-14(17)18)9-21(16,19)20/h3-6,10,13H,2,7-9H2,1H3,(H2,16,19,20).
What are the key properties of [1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).