N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide

C10H13NO5S — CID 88749478

IUPACN-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide
SMILESO=S(=O)(COCC1CO1)Nc1ccc(O)cc1
InChIInChI=1S/C10H13NO5S/c12-9-3-1-8(2-4-9)11-17(13,14)7-15-5-10-6-16-10/h1-4,10-12H,5-7H2
InChIKeyVZGUBPDFFGJRBR-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.51
Rot. Bonds6

About N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide

N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide (PubChem CID 88749478) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide
PubChem CID88749478
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC NameN-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide
SMILESO=S(=O)(COCC1CO1)Nc1ccc(O)cc1
InChIInChI=1S/C10H13NO5S/c12-9-3-1-8(2-4-9)11-17(13,14)7-15-5-10-6-16-10/h1-4,10-12H,5-7H2
InChIKeyVZGUBPDFFGJRBR-UHFFFAOYSA-N
XLogP0.51
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)methanesulfonamide
CID 4483147
N-(4-Hydroxyphenyl)aminosulfonamide
CID 15219881
p-Hydroxyanilinium bisulfate
CID 44391
1,1,1-trifluoro-N-(4-hydroxyphenyl)methanesulfonamide
CID 56640941
N-(4-hydroxyphenyl)ethanesulfonamide
CID 4483155
Para-hydroxyaniline sulphate
CID 12205921
[(4-Hydroxyphenyl)imino]dimethyl-lambda6-sulfanone
CID 122163242
N-(3-fluoro-4-hydroxyphenyl)propane-1-sulfonamide
CID 64780902
N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide
CID 64781668
N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide
CID 64781842
N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64782397
N-(2-Fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64786305

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide (CID 88749478) is N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide is O=S(=O)(COCC1CO1)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide?
The InChIKey is VZGUBPDFFGJRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c12-9-3-1-8(2-4-9)11-17(13,14)7-15-5-10-6-16-10/h1-4,10-12H,5-7H2.
What are the key properties of N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide?
N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide has a molecular weight of 259.28 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide is sourced from PubChem (CID 88749478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).