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

C15H21ClN2O4S — CID 3589937

IUPAC2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-2-7-17-15(19)11-22-14-6-5-12(10-13(14)16)23(20,21)18-8-3-4-9-18/h5-6,10H,2-4,7-9,11H2,1H3,(H,17,19)
InChIKeyHTWCDRZDOHFYNZ-UHFFFAOYSA-N
MW360.86 g/mol
LogP2.03
Rot. Bonds7

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

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide (PubChem CID 3589937) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide
PubChem CID3589937
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-2-7-17-15(19)11-22-14-6-5-12(10-13(14)16)23(20,21)18-8-3-4-9-18/h5-6,10H,2-4,7-9,11H2,1H3,(H,17,19)
InChIKeyHTWCDRZDOHFYNZ-UHFFFAOYSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 52.03
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)-N-propylacetamide?
The IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide (CID 3589937) is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide?
The canonical SMILES for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide is CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide?
The InChIKey is HTWCDRZDOHFYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-2-7-17-15(19)11-22-14-6-5-12(10-13(14)16)23(20,21)18-8-3-4-9-18/h5-6,10H,2-4,7-9,11H2,1H3,(H,17,19).
What are the key properties of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide?
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide has a molecular weight of 360.86 g/mol, XLogP of 2.03, 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-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide is sourced from PubChem (CID 3589937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).