4-amino-2-(2-methoxyethylsulfonyl)phenol

C9H13NO4S — CID 121356121

IUPAC4-amino-2-(2-methoxyethylsulfonyl)phenol
SMILESCOCCS(=O)(=O)c1cc(N)ccc1O
InChIInChI=1S/C9H13NO4S/c1-14-4-5-15(12,13)9-6-7(10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
InChIKeyVZCNVJIMTUEVOL-UHFFFAOYSA-N
MW231.27 g/mol
LogP0.39
Rot. Bonds4

About 4-amino-2-(2-methoxyethylsulfonyl)phenol

4-amino-2-(2-methoxyethylsulfonyl)phenol (PubChem CID 121356121) has the molecular formula C9H13NO4S and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethylsulfonyl)phenol.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethylsulfonyl)phenol
PubChem CID121356121
Molecular FormulaC9H13NO4S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC Name4-amino-2-(2-methoxyethylsulfonyl)phenol
SMILESCOCCS(=O)(=O)c1cc(N)ccc1O
InChIInChI=1S/C9H13NO4S/c1-14-4-5-15(12,13)9-6-7(10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
InChIKeyVZCNVJIMTUEVOL-UHFFFAOYSA-N
XLogP0.39
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
3,5-difluoro-4-(2-methoxyethylsulfonyl)aniline
CID 61369182
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023
2-(2,4-diaminophenyl)sulfonylethyl hydrogen sulfate
CID 14273541
3-methoxy-4-[3-(2-methoxyethoxy)propylsulfonyl]aniline
CID 103416112
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
4-(2-ethoxyethylsulfonyl)-3-methylaniline
CID 81192495
2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline
CID 54414311
3-(2-methoxyethylsulfonyl)-4-methylbenzoic acid
CID 43140809
3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline
CID 114112344
4-ethyl-2-(2-methoxyethylsulfonyl)-1-methylbenzene
CID 176665808
4-methyl-3-propylsulfonylaniline
CID 62589386

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethylsulfonyl)phenol?
The IUPAC name of 4-amino-2-(2-methoxyethylsulfonyl)phenol (CID 121356121) is 4-amino-2-(2-methoxyethylsulfonyl)phenol.
What is the SMILES notation for 4-amino-2-(2-methoxyethylsulfonyl)phenol?
The canonical SMILES for 4-amino-2-(2-methoxyethylsulfonyl)phenol is COCCS(=O)(=O)c1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-(2-methoxyethylsulfonyl)phenol?
The InChIKey is VZCNVJIMTUEVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c1-14-4-5-15(12,13)9-6-7(10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3.
What are the key properties of 4-amino-2-(2-methoxyethylsulfonyl)phenol?
4-amino-2-(2-methoxyethylsulfonyl)phenol has a molecular weight of 231.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxyethylsulfonyl)phenol is sourced from PubChem (CID 121356121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).