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

C17H25ClN2O4S — CID 3505223

IUPAC2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C17H25ClN2O4S/c1-2-3-4-9-19-17(21)13-24-16-8-7-14(12-15(16)18)25(22,23)20-10-5-6-11-20/h7-8,12H,2-6,9-11,13H2,1H3,(H,19,21)
InChIKeyNAMIBWTYQTWFLG-UHFFFAOYSA-N
MW388.92 g/mol
LogP2.81
Rot. Bonds9

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

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide (PubChem CID 3505223) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide
PubChem CID3505223
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C17H25ClN2O4S/c1-2-3-4-9-19-17(21)13-24-16-8-7-14(12-15(16)18)25(22,23)20-10-5-6-11-20/h7-8,12H,2-6,9-11,13H2,1H3,(H,19,21)
InChIKeyNAMIBWTYQTWFLG-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide?
The IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide (CID 3505223) is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide.
What is the SMILES notation for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide?
The canonical SMILES for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide is CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide?
The InChIKey is NAMIBWTYQTWFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-2-3-4-9-19-17(21)13-24-16-8-7-14(12-15(16)18)25(22,23)20-10-5-6-11-20/h7-8,12H,2-6,9-11,13H2,1H3,(H,19,21).
What are the key properties of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide?
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide has a molecular weight of 388.92 g/mol, XLogP of 2.81, 9 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-pentylacetamide is sourced from PubChem (CID 3505223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).