4-morpholin-4-ylsulfonylphenol

C10H13NO4S — CID 4794462

IUPAC4-morpholin-4-ylsulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)N1CCOCC1
InChIInChI=1S/C10H13NO4S/c12-9-1-3-10(4-2-9)16(13,14)11-5-7-15-8-6-11/h1-4,12H,5-8H2
InChIKeyLYIHIMLRHVZNJK-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.41
Rot. Bonds2

About 4-morpholin-4-ylsulfonylphenol

4-morpholin-4-ylsulfonylphenol (PubChem CID 4794462) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonylphenol.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonylphenol
PubChem CID4794462
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name4-morpholin-4-ylsulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)N1CCOCC1
InChIInChI=1S/C10H13NO4S/c12-9-1-3-10(4-2-9)16(13,14)11-5-7-15-8-6-11/h1-4,12H,5-8H2
InChIKeyLYIHIMLRHVZNJK-UHFFFAOYSA-N
XLogP0.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonylphenol?
The IUPAC name of 4-morpholin-4-ylsulfonylphenol (CID 4794462) is 4-morpholin-4-ylsulfonylphenol.
What is the SMILES notation for 4-morpholin-4-ylsulfonylphenol?
The canonical SMILES for 4-morpholin-4-ylsulfonylphenol is O=S(=O)(c1ccc(O)cc1)N1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylsulfonylphenol?
The InChIKey is LYIHIMLRHVZNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c12-9-1-3-10(4-2-9)16(13,14)11-5-7-15-8-6-11/h1-4,12H,5-8H2.
What are the key properties of 4-morpholin-4-ylsulfonylphenol?
4-morpholin-4-ylsulfonylphenol has a molecular weight of 243.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonylphenol is sourced from PubChem (CID 4794462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).