2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide

C14H19ClN2O4S — CID 3306707

IUPAC2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-2-16-14(18)10-21-13-6-5-11(9-12(13)15)22(19,20)17-7-3-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyPQRAJATYMGFSDS-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.64
Rot. Bonds6

About 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide (PubChem CID 3306707) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
PubChem CID3306707
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-2-16-14(18)10-21-13-6-5-11(9-12(13)15)22(19,20)17-7-3-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)
InChIKeyPQRAJATYMGFSDS-UHFFFAOYSA-N
XLogP1.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 27161142
N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 5104659
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100800412
N-[(2-chlorophenyl)methyl]-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3993771
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 126394799
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 3950701
2-(2-chloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82921286
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 5124062
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 4587367
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 2989290

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide (CID 3306707) is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide is CCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide?
The InChIKey is PQRAJATYMGFSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-2-16-14(18)10-21-13-6-5-11(9-12(13)15)22(19,20)17-7-3-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18).
What are the key properties of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide?
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide has a molecular weight of 346.84 g/mol, XLogP of 1.64, 6 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)-N-ethylacetamide is sourced from PubChem (CID 3306707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).