2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C13H20N2O4S — CID 81242131

IUPAC2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1ccccc1O
InChIInChI=1S/C13H20N2O4S/c16-12-4-1-2-5-13(12)20(17,18)14-6-3-7-15-8-10-19-11-9-15/h1-2,4-5,14,16H,3,6-11H2
InChIKeyAHKCXPDAMUWMER-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.39
Rot. Bonds6

About 2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 81242131) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID81242131
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1ccccc1O
InChIInChI=1S/C13H20N2O4S/c16-12-4-1-2-5-13(12)20(17,18)14-6-3-7-15-8-10-19-11-9-15/h1-2,4-5,14,16H,3,6-11H2
InChIKeyAHKCXPDAMUWMER-UHFFFAOYSA-N
XLogP0.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.39
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-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 81242131) is 2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is O=S(=O)(NCCCN1CCOCC1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is AHKCXPDAMUWMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c16-12-4-1-2-5-13(12)20(17,18)14-6-3-7-15-8-10-19-11-9-15/h1-2,4-5,14,16H,3,6-11H2.
What are the key properties of 2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 81242131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).