2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide

C17H18ClN3O5S — CID 119100301

IUPAC2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCC(Oc3ccncc3Cl)C2)cc1
InChIInChI=1S/C17H18ClN3O5S/c18-15-9-20-7-5-16(15)26-13-6-8-21(10-13)27(23,24)14-3-1-12(2-4-14)25-11-17(19)22/h1-5,7,9,13H,6,8,10-11H2,(H2,19,22)
InChIKeyFXQCDJXJBJKELX-UHFFFAOYSA-N
MW411.87 g/mol
LogP1.44
Rot. Bonds7

About 2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide

2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide (PubChem CID 119100301) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is 2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
PubChem CID119100301
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC Name2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)N2CCC(Oc3ccncc3Cl)C2)cc1
InChIInChI=1S/C17H18ClN3O5S/c18-15-9-20-7-5-16(15)26-13-6-8-21(10-13)27(23,24)14-3-1-12(2-4-14)25-11-17(19)22/h1-5,7,9,13H,6,8,10-11H2,(H2,19,22)
InChIKeyFXQCDJXJBJKELX-UHFFFAOYSA-N
XLogP1.44
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide?
The IUPAC name of 2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide (CID 119100301) is 2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide.
What is the SMILES notation for 2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide?
The canonical SMILES for 2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide is NC(=O)COc1ccc(S(=O)(=O)N2CCC(Oc3ccncc3Cl)C2)cc1.
What is the InChIKey of 2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide?
The InChIKey is FXQCDJXJBJKELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c18-15-9-20-7-5-16(15)26-13-6-8-21(10-13)27(23,24)14-3-1-12(2-4-14)25-11-17(19)22/h1-5,7,9,13H,6,8,10-11H2,(H2,19,22).
What are the key properties of 2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide?
2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide has a molecular weight of 411.87 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide is sourced from PubChem (CID 119100301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).