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

C13H20N2O4S — CID 43348296

IUPAC4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C13H20N2O4S/c16-12-2-4-13(5-3-12)20(17,18)14-6-1-7-15-8-10-19-11-9-15/h2-5,14,16H,1,6-11H2
InChIKeyNJEPFIONSDOCLK-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.39
Rot. Bonds6

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

4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 43348296) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID43348296
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C13H20N2O4S/c16-12-2-4-13(5-3-12)20(17,18)14-6-1-7-15-8-10-19-11-9-15/h2-5,14,16H,1,6-11H2
InChIKeyNJEPFIONSDOCLK-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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Related Compounds

3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
4-(1-hydroxyethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43507444
N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 9469996
4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110316594
4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43348231
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
CID 56603480
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748
4-[(3-morpholin-4-ylpropylamino)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 91407227
1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 70180257

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 43348296) is 4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is O=S(=O)(NCCCN1CCOCC1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is NJEPFIONSDOCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c16-12-2-4-13(5-3-12)20(17,18)14-6-1-7-15-8-10-19-11-9-15/h2-5,14,16H,1,6-11H2.
What are the key properties of 4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
4-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 4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 43348296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).