2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

C17H23ClN2O6S — CID 4846510

IUPAC2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCC1CCCO1
InChIInChI=1S/C17H23ClN2O6S/c18-15-10-14(27(22,23)20-5-8-24-9-6-20)3-4-16(15)26-12-17(21)19-11-13-2-1-7-25-13/h3-4,10,13H,1-2,5-9,11-12H2,(H,19,21)
InChIKeyASRVQTWWWOAHJI-UHFFFAOYSA-N
MW418.90 g/mol
LogP1.03
Rot. Bonds7

About 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 4846510) has the molecular formula C17H23ClN2O6S and a molecular weight of 418.90 g/mol. Its IUPAC name is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID4846510
Molecular FormulaC17H23ClN2O6S
Molecular Weight418.90 g/mol
Exact Mass418.10
IUPAC Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCC1CCCO1
InChIInChI=1S/C17H23ClN2O6S/c18-15-10-14(27(22,23)20-5-8-24-9-6-20)3-4-16(15)26-12-17(21)19-11-13-2-1-7-25-13/h3-4,10,13H,1-2,5-9,11-12H2,(H,19,21)
InChIKeyASRVQTWWWOAHJI-UHFFFAOYSA-N
XLogP1.03
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide (CID 4846510) is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCC1CCCO1.
What is the InChIKey of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ASRVQTWWWOAHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O6S/c18-15-10-14(27(22,23)20-5-8-24-9-6-20)3-4-16(15)26-12-17(21)19-11-13-2-1-7-25-13/h3-4,10,13H,1-2,5-9,11-12H2,(H,19,21).
What are the key properties of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 418.90 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 4846510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).