5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride

C14H13ClN2O3S — CID 168712231

IUPAC5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1Cc1ccnc2ccccc12
InChIInChI=1S/C14H13ClN2O3S/c15-21(19,20)11-7-14(18)17(9-11)8-10-5-6-16-13-4-2-1-3-12(10)13/h1-6,11H,7-9H2
InChIKeyNTEDPQMOULSCLI-UHFFFAOYSA-N
MW324.79 g/mol
LogP1.90
Rot. Bonds3

About 5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride

5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride (PubChem CID 168712231) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride
PubChem CID168712231
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1Cc1ccnc2ccccc12
InChIInChI=1S/C14H13ClN2O3S/c15-21(19,20)11-7-14(18)17(9-11)8-10-5-6-16-13-4-2-1-3-12(10)13/h1-6,11H,7-9H2
InChIKeyNTEDPQMOULSCLI-UHFFFAOYSA-N
XLogP1.90
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-2-one
CID 168703096
1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712228
1-isoquinolin-1-yl-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712977
5-oxo-1-(quinolin-7-ylmethyl)pyrrolidine-3-sulfonyl chloride
CID 168712210
1-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712216
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride
CID 168715026
1-[(2-chloro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711841
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
1-amino-3-(quinolin-4-ylmethyl)-1,3-diazinan-2-one
CID 104601300
1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712089
5-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-sulfonyl chloride
CID 168712180
1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione
CID 79240641

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride (CID 168712231) is 5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1Cc1ccnc2ccccc12.
What is the InChIKey of 5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride?
The InChIKey is NTEDPQMOULSCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-21(19,20)11-7-14(18)17(9-11)8-10-5-6-16-13-4-2-1-3-12(10)13/h1-6,11H,7-9H2.
What are the key properties of 5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride?
5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride has a molecular weight of 324.79 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).