5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride

C14H15ClN2O4S — CID 168712479

IUPAC5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride
SMILESO=C1CCCN1c1ccc(N2CC(S(=O)(=O)Cl)CC2=O)cc1
InChIInChI=1S/C14H15ClN2O4S/c15-22(20,21)12-8-14(19)17(9-12)11-5-3-10(4-6-11)16-7-1-2-13(16)18/h3-6,12H,1-2,7-9H2
InChIKeyMZDBHQPZUFVYRL-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.49
Rot. Bonds3

About 5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride

5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride (PubChem CID 168712479) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is 5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride
PubChem CID168712479
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride
SMILESO=C1CCCN1c1ccc(N2CC(S(=O)(=O)Cl)CC2=O)cc1
InChIInChI=1S/C14H15ClN2O4S/c15-22(20,21)12-8-14(19)17(9-12)11-5-3-10(4-6-11)16-7-1-2-13(16)18/h3-6,12H,1-2,7-9H2
InChIKeyMZDBHQPZUFVYRL-UHFFFAOYSA-N
XLogP1.49
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792
5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712798
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
5-oxo-1-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-sulfonyl chloride
CID 168712750
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride
CID 168711179
1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711191
1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711758
1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712858
1-(4-cyano-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712437
5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride
CID 168712493

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride (CID 168712479) is 5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride is O=C1CCCN1c1ccc(N2CC(S(=O)(=O)Cl)CC2=O)cc1.
What is the InChIKey of 5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride?
The InChIKey is MZDBHQPZUFVYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c15-22(20,21)12-8-14(19)17(9-12)11-5-3-10(4-6-11)16-7-1-2-13(16)18/h3-6,12H,1-2,7-9H2.
What are the key properties of 5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride?
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride has a molecular weight of 342.80 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).