1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol

C14H15ClN2O4S — CID 154751562

IUPAC1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(Cl)c2ncccc12)N1CC(O)CC1CO
InChIInChI=1S/C14H15ClN2O4S/c15-12-3-4-13(11-2-1-5-16-14(11)12)22(20,21)17-7-10(19)6-9(17)8-18/h1-5,9-10,18-19H,6-8H2
InChIKeyOQPZSXGSMUTOSP-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.00
Rot. Bonds3

About 1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol

1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 154751562) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is 1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID154751562
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(Cl)c2ncccc12)N1CC(O)CC1CO
InChIInChI=1S/C14H15ClN2O4S/c15-12-3-4-13(11-2-1-5-16-14(11)12)22(20,21)17-7-10(19)6-9(17)8-18/h1-5,9-10,18-19H,6-8H2
InChIKeyOQPZSXGSMUTOSP-UHFFFAOYSA-N
XLogP1.00
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol (CID 154751562) is 1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol is O=S(=O)(c1ccc(Cl)c2ncccc12)N1CC(O)CC1CO.
What is the InChIKey of 1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is OQPZSXGSMUTOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c15-12-3-4-13(11-2-1-5-16-14(11)12)22(20,21)17-7-10(19)6-9(17)8-18/h1-5,9-10,18-19H,6-8H2.
What are the key properties of 1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol?
1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 342.80 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloroquinolin-5-yl)sulfonyl-5-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 154751562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).