N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide

C15H20N2O4S — CID 18108804

IUPACN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCC1
InChIInChI=1S/C15H20N2O4S/c18-14-7-6-12(22(20,21)17-8-1-2-9-17)10-13(14)16-15(19)11-4-3-5-11/h6-7,10-11,18H,1-5,8-9H2,(H,16,19)
InChIKeyOAKHVBSXWVTRNE-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.92
Rot. Bonds4

About N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide (PubChem CID 18108804) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide
PubChem CID18108804
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCC1
InChIInChI=1S/C15H20N2O4S/c18-14-7-6-12(22(20,21)17-8-1-2-9-17)10-13(14)16-15(19)11-4-3-5-11/h6-7,10-11,18H,1-5,8-9H2,(H,16,19)
InChIKeyOAKHVBSXWVTRNE-UHFFFAOYSA-N
XLogP1.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide (CID 18108804) is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide is O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCC1.
What is the InChIKey of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide?
The InChIKey is OAKHVBSXWVTRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-14-7-6-12(22(20,21)17-8-1-2-9-17)10-13(14)16-15(19)11-4-3-5-11/h6-7,10-11,18H,1-5,8-9H2,(H,16,19).
What are the key properties of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide?
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 18108804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).