2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide

C14H19ClN2O5S — CID 3454866

IUPAC2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCCO
InChIInChI=1S/C14H19ClN2O5S/c15-12-9-11(23(20,21)17-6-1-2-7-17)3-4-13(12)22-10-14(19)16-5-8-18/h3-4,9,18H,1-2,5-8,10H2,(H,16,19)
InChIKeyTWUPHDAYQAVUQE-UHFFFAOYSA-N
MW362.84 g/mol
LogP0.61
Rot. Bonds7

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

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide (PubChem CID 3454866) has the molecular formula C14H19ClN2O5S and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide
PubChem CID3454866
Molecular FormulaC14H19ClN2O5S
Molecular Weight362.84 g/mol
Exact Mass362.07
IUPAC Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCCO
InChIInChI=1S/C14H19ClN2O5S/c15-12-9-11(23(20,21)17-6-1-2-7-17)3-4-13(12)22-10-14(19)16-5-8-18/h3-4,9,18H,1-2,5-8,10H2,(H,16,19)
InChIKeyTWUPHDAYQAVUQE-UHFFFAOYSA-N
XLogP0.61
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide (CID 3454866) is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide is O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCCO.
What is the InChIKey of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide?
The InChIKey is TWUPHDAYQAVUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5S/c15-12-9-11(23(20,21)17-6-1-2-7-17)3-4-13(12)22-10-14(19)16-5-8-18/h3-4,9,18H,1-2,5-8,10H2,(H,16,19).
What are the key properties of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide?
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide has a molecular weight of 362.84 g/mol, XLogP of 0.61, 7 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-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 3454866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).