1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride

C15H19ClN2O4S — CID 168711191

IUPAC1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCCN(CC)C(=O)c1ccc(N2CC(S(=O)(=O)Cl)CC2=O)cc1
InChIInChI=1S/C15H19ClN2O4S/c1-3-17(4-2)15(20)11-5-7-12(8-6-11)18-10-13(9-14(18)19)23(16,21)22/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyNMPDFVYIIBOZSM-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.84
Rot. Bonds5

About 1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride

1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711191) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is 1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711191
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC Name1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCCN(CC)C(=O)c1ccc(N2CC(S(=O)(=O)Cl)CC2=O)cc1
InChIInChI=1S/C15H19ClN2O4S/c1-3-17(4-2)15(20)11-5-7-12(8-6-11)18-10-13(9-14(18)19)23(16,21)22/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyNMPDFVYIIBOZSM-UHFFFAOYSA-N
XLogP1.84
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717035
5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride
CID 168711179
N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717045
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712479
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434
5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712798
1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113188899
N,N-diethyl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 52587818
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
3-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-1,1-diethylurea
CID 16920179

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711191) is 1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride is CCN(CC)C(=O)c1ccc(N2CC(S(=O)(=O)Cl)CC2=O)cc1.
What is the InChIKey of 1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is NMPDFVYIIBOZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4S/c1-3-17(4-2)15(20)11-5-7-12(8-6-11)18-10-13(9-14(18)19)23(16,21)22/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride?
1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 358.85 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).