1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C13H10ClFN2O3S — CID 168715288

IUPAC1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1c(Cl)ccc2ncccc12
InChIInChI=1S/C13H10ClFN2O3S/c14-10-3-4-11-9(2-1-5-16-11)13(10)17-7-8(6-12(17)18)21(15,19)20/h1-5,8H,6-7H2
InChIKeyUTTNBXQVIBRTLN-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.29
Rot. Bonds2

About 1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715288) has the molecular formula C13H10ClFN2O3S and a molecular weight of 328.75 g/mol. Its IUPAC name is 1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715288
Molecular FormulaC13H10ClFN2O3S
Molecular Weight328.75 g/mol
Exact Mass328.01
IUPAC Name1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1c(Cl)ccc2ncccc12
InChIInChI=1S/C13H10ClFN2O3S/c14-10-3-4-11-9(2-1-5-16-11)13(10)17-7-8(6-12(17)18)21(15,19)20/h1-5,8H,6-7H2
InChIKeyUTTNBXQVIBRTLN-UHFFFAOYSA-N
XLogP2.29
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715288) is 1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1c(Cl)ccc2ncccc12.
What is the InChIKey of 1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is UTTNBXQVIBRTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3S/c14-10-3-4-11-9(2-1-5-16-11)13(10)17-7-8(6-12(17)18)21(15,19)20/h1-5,8H,6-7H2.
What are the key properties of 1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 328.75 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).