4-methoxy-2-methylsulfonylaniline

C8H11NO3S — CID 59284472

IUPAC4-methoxy-2-methylsulfonylaniline
SMILESCOc1ccc(N)c(S(C)(=O)=O)c1
InChIInChI=1S/C8H11NO3S/c1-12-6-3-4-7(9)8(5-6)13(2,10)11/h3-5H,9H2,1-2H3
InChIKeyUGEZZTBSMVMJQG-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.68
Rot. Bonds2

About 4-methoxy-2-methylsulfonylaniline

4-methoxy-2-methylsulfonylaniline (PubChem CID 59284472) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-methoxy-2-methylsulfonylaniline.

Molecular Properties

Compound Name4-methoxy-2-methylsulfonylaniline
PubChem CID59284472
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name4-methoxy-2-methylsulfonylaniline
SMILESCOc1ccc(N)c(S(C)(=O)=O)c1
InChIInChI=1S/C8H11NO3S/c1-12-6-3-4-7(9)8(5-6)13(2,10)11/h3-5H,9H2,1-2H3
InChIKeyUGEZZTBSMVMJQG-UHFFFAOYSA-N
XLogP0.68
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-methylsulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-5-methoxybenzenesulfonic acid
CID 83260
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
4-amino-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 578975
5-Ethylsulphonyl-o-anisidine
CID 79278
3-Amino-N-(4-methoxyphenyl)benzenesulfonamide
CID 2756466
N-(4-methoxyphenyl)-4-(methylthio)benzenesulfonamide
CID 973953
2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3868683
4-[4-(Thiiran-2-ylmethylsulfonyl)phenoxy]aniline
CID 54669762
4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 341399
2-Amino-5-methoxybenzene-1-thiol
CID 235509
7-methoxy-2H-1,4-benzothiazin-3-amine
CID 820030
N-(4-ethoxyphenyl)-4-(methylthio)benzenesulfonamide
CID 967259

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylsulfonylaniline?
The IUPAC name of 4-methoxy-2-methylsulfonylaniline (CID 59284472) is 4-methoxy-2-methylsulfonylaniline.
What is the SMILES notation for 4-methoxy-2-methylsulfonylaniline?
The canonical SMILES for 4-methoxy-2-methylsulfonylaniline is COc1ccc(N)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-methoxy-2-methylsulfonylaniline?
The InChIKey is UGEZZTBSMVMJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-12-6-3-4-7(9)8(5-6)13(2,10)11/h3-5H,9H2,1-2H3.
What are the key properties of 4-methoxy-2-methylsulfonylaniline?
4-methoxy-2-methylsulfonylaniline has a molecular weight of 201.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylsulfonylaniline is sourced from PubChem (CID 59284472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).