1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one

C16H19ClN2O6S — CID 2418093

IUPAC1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C16H19ClN2O6S/c17-13-10-12(26(22,23)18-6-8-24-9-7-18)3-4-14(13)25-11-16(21)19-5-1-2-15(19)20/h3-4,10H,1-2,5-9,11H2
InChIKeyOBZWNUAGYISGPP-UHFFFAOYSA-N
MW402.86 g/mol
LogP0.89
Rot. Bonds5

About 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one

1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one (PubChem CID 2418093) has the molecular formula C16H19ClN2O6S and a molecular weight of 402.86 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one
PubChem CID2418093
Molecular FormulaC16H19ClN2O6S
Molecular Weight402.86 g/mol
Exact Mass402.07
IUPAC Name1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C16H19ClN2O6S/c17-13-10-12(26(22,23)18-6-8-24-9-7-18)3-4-14(13)25-11-16(21)19-5-1-2-15(19)20/h3-4,10H,1-2,5-9,11H2
InChIKeyOBZWNUAGYISGPP-UHFFFAOYSA-N
XLogP0.89
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one (CID 2418093) is 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one is O=C1CCCN1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one?
The InChIKey is OBZWNUAGYISGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O6S/c17-13-10-12(26(22,23)18-6-8-24-9-7-18)3-4-14(13)25-11-16(21)19-5-1-2-15(19)20/h3-4,10H,1-2,5-9,11H2.
What are the key properties of 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one?
1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one has a molecular weight of 402.86 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one is sourced from PubChem (CID 2418093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).