2-amino-4-(methylsulfonylmethyl)phenol

C8H11NO3S — CID 117221684

IUPAC2-amino-4-(methylsulfonylmethyl)phenol
SMILESCS(=O)(=O)Cc1ccc(O)c(N)c1
InChIInChI=1S/C8H11NO3S/c1-13(11,12)5-6-2-3-8(10)7(9)4-6/h2-4,10H,5,9H2,1H3
InChIKeyVMOYBNASESUEKC-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.52
Rot. Bonds2

About 2-amino-4-(methylsulfonylmethyl)phenol

2-amino-4-(methylsulfonylmethyl)phenol (PubChem CID 117221684) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-amino-4-(methylsulfonylmethyl)phenol.

Molecular Properties

Compound Name2-amino-4-(methylsulfonylmethyl)phenol
PubChem CID117221684
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-amino-4-(methylsulfonylmethyl)phenol
SMILESCS(=O)(=O)Cc1ccc(O)c(N)c1
InChIInChI=1S/C8H11NO3S/c1-13(11,12)5-6-2-3-8(10)7(9)4-6/h2-4,10H,5,9H2,1H3
InChIKeyVMOYBNASESUEKC-UHFFFAOYSA-N
XLogP0.52
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methylsulfonylmethyl)phenol?
The IUPAC name of 2-amino-4-(methylsulfonylmethyl)phenol (CID 117221684) is 2-amino-4-(methylsulfonylmethyl)phenol.
What is the SMILES notation for 2-amino-4-(methylsulfonylmethyl)phenol?
The canonical SMILES for 2-amino-4-(methylsulfonylmethyl)phenol is CS(=O)(=O)Cc1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-(methylsulfonylmethyl)phenol?
The InChIKey is VMOYBNASESUEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-13(11,12)5-6-2-3-8(10)7(9)4-6/h2-4,10H,5,9H2,1H3.
What are the key properties of 2-amino-4-(methylsulfonylmethyl)phenol?
2-amino-4-(methylsulfonylmethyl)phenol has a molecular weight of 201.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methylsulfonylmethyl)phenol is sourced from PubChem (CID 117221684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).