(2-amino-4-methylsulfonylphenyl)methanol

C8H11NO3S — CID 139269655

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

About (2-amino-4-methylsulfonylphenyl)methanol

(2-amino-4-methylsulfonylphenyl)methanol (PubChem CID 139269655) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is (2-amino-4-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(2-amino-4-methylsulfonylphenyl)methanol
PubChem CID139269655
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name(2-amino-4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(CO)c(N)c1
InChIInChI=1S/C8H11NO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-4,10H,5,9H2,1H3
InChIKeyRVKBXCOCKOKQGE-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

3-amino-4-(hydroxymethyl)benzenesulfonamide
CID 67323774
(2-iodo-4-methylsulfonylphenyl)methanol
CID 168954797
2-amino-4-methylsulfonylbenzoate
CID 6930952
3-(2-amino-4-methylsulfonylanilino)-2-methylpropane-1,2-diol
CID 66170096
2-amino-N-ethyl-4-methylsulfonylbenzamide
CID 166594131
[1-(2-amino-4-methylsulfonylphenyl)pyrrolidin-3-yl]methanol
CID 112623984
2-(4-fluorophenyl)-5-methylsulfonylaniline
CID 175686631
(5-amino-2-methylsulfonylphenyl)methanol
CID 22316624
3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide
CID 106275284
4-methylsulfonyl-1-N-(1-methylsulfonylpropan-2-yl)benzene-1,2-diamine
CID 64630594
2-(2-hydroxypropyl)-5-methylsulfonylphenol
CID 117332645
2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide
CID 54989457

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylsulfonylphenyl)methanol?
The IUPAC name of (2-amino-4-methylsulfonylphenyl)methanol (CID 139269655) is (2-amino-4-methylsulfonylphenyl)methanol.
What is the SMILES notation for (2-amino-4-methylsulfonylphenyl)methanol?
The canonical SMILES for (2-amino-4-methylsulfonylphenyl)methanol is CS(=O)(=O)c1ccc(CO)c(N)c1.
What is the InChIKey of (2-amino-4-methylsulfonylphenyl)methanol?
The InChIKey is RVKBXCOCKOKQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-4,10H,5,9H2,1H3.
What are the key properties of (2-amino-4-methylsulfonylphenyl)methanol?
(2-amino-4-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 (2-amino-4-methylsulfonylphenyl)methanol is sourced from PubChem (CID 139269655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).