2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone

C16H21ClN2O5S — CID 2228477

IUPAC2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)N1CCOCC1
InChIInChI=1S/C16H21ClN2O5S/c17-14-11-13(25(21,22)19-5-1-2-6-19)3-4-15(14)24-12-16(20)18-7-9-23-10-8-18/h3-4,11H,1-2,5-10,12H2
InChIKeyVROHWKXOBWGSJG-UHFFFAOYSA-N
MW388.87 g/mol
LogP1.36
Rot. Bonds5

About 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone (PubChem CID 2228477) has the molecular formula C16H21ClN2O5S and a molecular weight of 388.87 g/mol. Its IUPAC name is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone
PubChem CID2228477
Molecular FormulaC16H21ClN2O5S
Molecular Weight388.87 g/mol
Exact Mass388.09
IUPAC Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)N1CCOCC1
InChIInChI=1S/C16H21ClN2O5S/c17-14-11-13(25(21,22)19-5-1-2-6-19)3-4-15(14)24-12-16(20)18-7-9-23-10-8-18/h3-4,11H,1-2,5-10,12H2
InChIKeyVROHWKXOBWGSJG-UHFFFAOYSA-N
XLogP1.36
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone (CID 2228477) is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone is O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)N1CCOCC1.
What is the InChIKey of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone?
The InChIKey is VROHWKXOBWGSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5S/c17-14-11-13(25(21,22)19-5-1-2-6-19)3-4-15(14)24-12-16(20)18-7-9-23-10-8-18/h3-4,11H,1-2,5-10,12H2.
What are the key properties of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone?
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone has a molecular weight of 388.87 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 2228477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).