2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C12H15ClN2O4S — CID 2243359

IUPAC2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C12H15ClN2O4S/c13-10-7-9(3-4-11(10)19-8-12(14)16)20(17,18)15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H2,14,16)
InChIKeyRULQWFNXWJJIOU-UHFFFAOYSA-N
MW318.78 g/mol
LogP0.99
Rot. Bonds5

About 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 2243359) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID2243359
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C12H15ClN2O4S/c13-10-7-9(3-4-11(10)19-8-12(14)16)20(17,18)15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H2,14,16)
InChIKeyRULQWFNXWJJIOU-UHFFFAOYSA-N
XLogP0.99
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 50.99
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-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 2243359) is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is RULQWFNXWJJIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c13-10-7-9(3-4-11(10)19-8-12(14)16)20(17,18)15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H2,14,16).
What are the key properties of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 318.78 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 2243359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).