1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide

C12H12Cl2N2O4S — CID 155525716

IUPAC1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H12Cl2N2O4S/c1-21(19,20)15-12(18)7-4-11(17)16(6-7)8-2-3-9(13)10(14)5-8/h2-3,5,7H,4,6H2,1H3,(H,15,18)
InChIKeyWFUOWPWPJNMJFE-UHFFFAOYSA-N
MW351.21 g/mol
LogP1.42
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide

1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 155525716) has the molecular formula C12H12Cl2N2O4S and a molecular weight of 351.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
PubChem CID155525716
Molecular FormulaC12H12Cl2N2O4S
Molecular Weight351.21 g/mol
Exact Mass349.99
IUPAC Name1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H12Cl2N2O4S/c1-21(19,20)15-12(18)7-4-11(17)16(6-7)8-2-3-9(13)10(14)5-8/h2-3,5,7H,4,6H2,1H3,(H,15,18)
InChIKeyWFUOWPWPJNMJFE-UHFFFAOYSA-N
XLogP1.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-chloro-3-fluorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 124591586
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
1-(3-chloro-4-methylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
CID 17080821
(3R)-N-tert-butyl-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438206
1-(3-chloro-4-methylphenyl)-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84987956
1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 6462969
N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080885
(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075786
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690528
(3R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126262377
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7438229
N-butyl-1-(3,4-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113190903

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide (CID 155525716) is 1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide is CS(=O)(=O)NC(=O)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WFUOWPWPJNMJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4S/c1-21(19,20)15-12(18)7-4-11(17)16(6-7)8-2-3-9(13)10(14)5-8/h2-3,5,7H,4,6H2,1H3,(H,15,18).
What are the key properties of 1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 155525716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).