2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide

C11H14ClFN2O4S — CID 47090047

IUPAC2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O4S/c1-19-5-4-15(7-11(14)16)20(17,18)10-3-2-8(13)6-9(10)12/h2-3,6H,4-5,7H2,1H3,(H2,14,16)
InChIKeyMJAIWMVJOJDIGO-UHFFFAOYSA-N
MW324.76 g/mol
LogP0.60
Rot. Bonds7

About 2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide

2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide (PubChem CID 47090047) has the molecular formula C11H14ClFN2O4S and a molecular weight of 324.76 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide
PubChem CID47090047
Molecular FormulaC11H14ClFN2O4S
Molecular Weight324.76 g/mol
Exact Mass324.03
IUPAC Name2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O4S/c1-19-5-4-15(7-11(14)16)20(17,18)10-3-2-8(13)6-9(10)12/h2-3,6H,4-5,7H2,1H3,(H2,14,16)
InChIKeyMJAIWMVJOJDIGO-UHFFFAOYSA-N
XLogP0.60
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide (CID 47090047) is 2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide is COCCN(CC(N)=O)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide?
The InChIKey is MJAIWMVJOJDIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O4S/c1-19-5-4-15(7-11(14)16)20(17,18)10-3-2-8(13)6-9(10)12/h2-3,6H,4-5,7H2,1H3,(H2,14,16).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide?
2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide has a molecular weight of 324.76 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 47090047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).