2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide

C15H21ClN2O5S — CID 3466957

IUPAC2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCCCO
InChIInChI=1S/C15H21ClN2O5S/c16-13-10-12(24(21,22)18-7-1-2-8-18)4-5-14(13)23-11-15(20)17-6-3-9-19/h4-5,10,19H,1-3,6-9,11H2,(H,17,20)
InChIKeyWTSISVXMQOHGRW-UHFFFAOYSA-N
MW376.86 g/mol
LogP1.00
Rot. Bonds8

About 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide (PubChem CID 3466957) has the molecular formula C15H21ClN2O5S and a molecular weight of 376.86 g/mol. Its IUPAC name is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide
PubChem CID3466957
Molecular FormulaC15H21ClN2O5S
Molecular Weight376.86 g/mol
Exact Mass376.09
IUPAC Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCCCO
InChIInChI=1S/C15H21ClN2O5S/c16-13-10-12(24(21,22)18-7-1-2-8-18)4-5-14(13)23-11-15(20)17-6-3-9-19/h4-5,10,19H,1-3,6-9,11H2,(H,17,20)
InChIKeyWTSISVXMQOHGRW-UHFFFAOYSA-N
XLogP1.00
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide (CID 3466957) is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide is O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCCCO.
What is the InChIKey of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide?
The InChIKey is WTSISVXMQOHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O5S/c16-13-10-12(24(21,22)18-7-1-2-8-18)4-5-14(13)23-11-15(20)17-6-3-9-19/h4-5,10,19H,1-3,6-9,11H2,(H,17,20).
What are the key properties of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide?
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide has a molecular weight of 376.86 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 3466957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).