2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide

C18H18ClFN2O5S — CID 17485564

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C18H18ClFN2O5S/c19-14-2-1-3-15(20)13(14)11-18(24)21-16-10-12(4-5-17(16)23)28(25,26)22-6-8-27-9-7-22/h1-5,10,23H,6-9,11H2,(H,21,24)
InChIKeyZPWWREUAGAPJMR-UHFFFAOYSA-N
MW428.87 g/mol
LogP2.39
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 17485564) has the molecular formula C18H18ClFN2O5S and a molecular weight of 428.87 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID17485564
Molecular FormulaC18H18ClFN2O5S
Molecular Weight428.87 g/mol
Exact Mass428.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C18H18ClFN2O5S/c19-14-2-1-3-15(20)13(14)11-18(24)21-16-10-12(4-5-17(16)23)28(25,26)22-6-8-27-9-7-22/h1-5,10,23H,6-9,11H2,(H,21,24)
InChIKeyZPWWREUAGAPJMR-UHFFFAOYSA-N
XLogP2.39
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 17485564) is 2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide is O=C(Cc1c(F)cccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is ZPWWREUAGAPJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O5S/c19-14-2-1-3-15(20)13(14)11-18(24)21-16-10-12(4-5-17(16)23)28(25,26)22-6-8-27-9-7-22/h1-5,10,23H,6-9,11H2,(H,21,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 428.87 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 17485564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).