[1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C14H16Cl2N2O4S — CID 168672902

IUPAC[1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCN(C)C(=O)c1ccc(Cl)cc1N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C14H16Cl2N2O4S/c1-17(2)14(20)11-4-3-10(15)6-12(11)18-7-9(5-13(18)19)8-23(16,21)22/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyMLTZYNYJAHYDRO-UHFFFAOYSA-N
MW379.27 g/mol
LogP1.96
Rot. Bonds4

About [1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168672902) has the molecular formula C14H16Cl2N2O4S and a molecular weight of 379.27 g/mol. Its IUPAC name is [1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168672902
Molecular FormulaC14H16Cl2N2O4S
Molecular Weight379.27 g/mol
Exact Mass378.02
IUPAC Name[1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCN(C)C(=O)c1ccc(Cl)cc1N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C14H16Cl2N2O4S/c1-17(2)14(20)11-4-3-10(15)6-12(11)18-7-9(5-13(18)19)8-23(16,21)22/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyMLTZYNYJAHYDRO-UHFFFAOYSA-N
XLogP1.96
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673985
[1-(4-chloro-2-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674147
[5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673880
[5-oxo-1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673907
[1-(5-chloro-2-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682419
[1-(2,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673300
[1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673228
methyl 5-[4-(chlorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-fluorobenzoate
CID 168672954
[1-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673991
methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-chlorobenzoate
CID 168659485
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[1-(2-iodo-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673308

Frequently Asked Questions

What is the IUPAC name of [1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168672902) is [1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is CN(C)C(=O)c1ccc(Cl)cc1N1CC(CS(=O)(=O)Cl)CC1=O.
What is the InChIKey of [1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is MLTZYNYJAHYDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4S/c1-17(2)14(20)11-4-3-10(15)6-12(11)18-7-9(5-13(18)19)8-23(16,21)22/h3-4,6,9H,5,7-8H2,1-2H3.
What are the key properties of [1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 379.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168672902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).