(5-amino-2-methylsulfonylphenyl)methanol

C8H11NO3S — CID 22316624

IUPAC(5-amino-2-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(N)cc1CO
InChIInChI=1S/C8H11NO3S/c1-13(11,12)8-3-2-7(9)4-6(8)5-10/h2-4,10H,5,9H2,1H3
InChIKeyRHLOFGOLKFEIBY-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.16
Rot. Bonds2

About (5-amino-2-methylsulfonylphenyl)methanol

(5-amino-2-methylsulfonylphenyl)methanol (PubChem CID 22316624) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is (5-amino-2-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(5-amino-2-methylsulfonylphenyl)methanol
PubChem CID22316624
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name(5-amino-2-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(N)cc1CO
InChIInChI=1S/C8H11NO3S/c1-13(11,12)8-3-2-7(9)4-6(8)5-10/h2-4,10H,5,9H2,1H3
InChIKeyRHLOFGOLKFEIBY-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfonylbenzene-1,3-diamine
CID 67023137
(2-amino-4-methylsulfonylphenyl)methanol
CID 139269655
(5-amino-2-sulfanylphenyl)methanol
CID 123614701
[2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol
CID 54465943
2-(hydroxymethyl)-4-methoxybenzenesulfonamide
CID 67168933
2-[4-amino-2-(hydroxymethyl)anilino]ethanol
CID 163969372
4-amino-2-(3-methoxyprop-2-enyl)benzenesulfonic acid
CID 174737488
4-amino-2-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 175297408
3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
CID 117374971
3-methyl-4-(2-methylsulfonylethylsulfonyl)aniline
CID 81191903
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221
4-ethylsulfonyl-3-methoxyaniline
CID 81207779

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylsulfonylphenyl)methanol?
The IUPAC name of (5-amino-2-methylsulfonylphenyl)methanol (CID 22316624) is (5-amino-2-methylsulfonylphenyl)methanol.
What is the SMILES notation for (5-amino-2-methylsulfonylphenyl)methanol?
The canonical SMILES for (5-amino-2-methylsulfonylphenyl)methanol is CS(=O)(=O)c1ccc(N)cc1CO.
What is the InChIKey of (5-amino-2-methylsulfonylphenyl)methanol?
The InChIKey is RHLOFGOLKFEIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-13(11,12)8-3-2-7(9)4-6(8)5-10/h2-4,10H,5,9H2,1H3.
What are the key properties of (5-amino-2-methylsulfonylphenyl)methanol?
(5-amino-2-methylsulfonylphenyl)methanol has a molecular weight of 201.25 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylsulfonylphenyl)methanol is sourced from PubChem (CID 22316624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).