N-(4-hydroxyphenyl)morpholine-4-sulfonamide

C10H14N2O4S — CID 21238314

IUPACN-(4-hydroxyphenyl)morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)N1CCOCC1
InChIInChI=1S/C10H14N2O4S/c13-10-3-1-9(2-4-10)11-17(14,15)12-5-7-16-8-6-12/h1-4,11,13H,5-8H2
InChIKeyJECPDUVNZJTRNN-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.38
Rot. Bonds3

About N-(4-hydroxyphenyl)morpholine-4-sulfonamide

N-(4-hydroxyphenyl)morpholine-4-sulfonamide (PubChem CID 21238314) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)morpholine-4-sulfonamide
PubChem CID21238314
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC NameN-(4-hydroxyphenyl)morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)N1CCOCC1
InChIInChI=1S/C10H14N2O4S/c13-10-3-1-9(2-4-10)11-17(14,15)12-5-7-16-8-6-12/h1-4,11,13H,5-8H2
InChIKeyJECPDUVNZJTRNN-UHFFFAOYSA-N
XLogP0.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)morpholine-4-sulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)morpholine-4-sulfonamide (CID 21238314) is N-(4-hydroxyphenyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)morpholine-4-sulfonamide is O=S(=O)(Nc1ccc(O)cc1)N1CCOCC1.
What is the InChIKey of N-(4-hydroxyphenyl)morpholine-4-sulfonamide?
The InChIKey is JECPDUVNZJTRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c13-10-3-1-9(2-4-10)11-17(14,15)12-5-7-16-8-6-12/h1-4,11,13H,5-8H2.
What are the key properties of N-(4-hydroxyphenyl)morpholine-4-sulfonamide?
N-(4-hydroxyphenyl)morpholine-4-sulfonamide has a molecular weight of 258.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)morpholine-4-sulfonamide is sourced from PubChem (CID 21238314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).