4-methoxy-2-(methoxymethylsulfonyl)aniline

C9H13NO4S — CID 81207309

IUPAC4-methoxy-2-(methoxymethylsulfonyl)aniline
SMILESCOCS(=O)(=O)c1cc(OC)ccc1N
InChIInChI=1S/C9H13NO4S/c1-13-6-15(11,12)9-5-7(14-2)3-4-8(9)10/h3-5H,6,10H2,1-2H3
InChIKeyDZYHKUZVHMPGSG-UHFFFAOYSA-N
MW231.27 g/mol
LogP0.65
Rot. Bonds4

About 4-methoxy-2-(methoxymethylsulfonyl)aniline

4-methoxy-2-(methoxymethylsulfonyl)aniline (PubChem CID 81207309) has the molecular formula C9H13NO4S and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethylsulfonyl)aniline.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethylsulfonyl)aniline
PubChem CID81207309
Molecular FormulaC9H13NO4S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC Name4-methoxy-2-(methoxymethylsulfonyl)aniline
SMILESCOCS(=O)(=O)c1cc(OC)ccc1N
InChIInChI=1S/C9H13NO4S/c1-13-6-15(11,12)9-5-7(14-2)3-4-8(9)10/h3-5H,6,10H2,1-2H3
InChIKeyDZYHKUZVHMPGSG-UHFFFAOYSA-N
XLogP0.65
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-(methoxymethylsulfonyl)aniline 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

4-methoxy-2-(3-methylsulfonylpropylsulfonyl)aniline
CID 81207138
2-(2-amino-5-methoxyphenyl)sulfonylacetamide
CID 81207136
lithium 2-amino-5-methoxybenzenesulfonate
CID 101304006
4-methoxy-2-(3,3,3-trifluoropropylsulfonyl)aniline
CID 81206904
4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol
CID 81206980
2-(2-ethylsulfanylethylsulfonyl)-4-methoxyaniline
CID 113474819
2-butan-2-ylsulfonyl-4-methoxyaniline
CID 81207556
4-ethoxy-2-(ethoxymethylsulfonyl)aniline
CID 81174679
2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
CID 114110496
2-[(5-bromothiophen-2-yl)methylsulfonyl]-4-methoxyaniline
CID 81206584
2-[(3-bromophenyl)methylsulfonyl]-4-methoxyaniline
CID 81207392
4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]aniline
CID 82888470

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethylsulfonyl)aniline?
The IUPAC name of 4-methoxy-2-(methoxymethylsulfonyl)aniline (CID 81207309) is 4-methoxy-2-(methoxymethylsulfonyl)aniline.
What is the SMILES notation for 4-methoxy-2-(methoxymethylsulfonyl)aniline?
The canonical SMILES for 4-methoxy-2-(methoxymethylsulfonyl)aniline is COCS(=O)(=O)c1cc(OC)ccc1N.
What is the InChIKey of 4-methoxy-2-(methoxymethylsulfonyl)aniline?
The InChIKey is DZYHKUZVHMPGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c1-13-6-15(11,12)9-5-7(14-2)3-4-8(9)10/h3-5H,6,10H2,1-2H3.
What are the key properties of 4-methoxy-2-(methoxymethylsulfonyl)aniline?
4-methoxy-2-(methoxymethylsulfonyl)aniline has a molecular weight of 231.27 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethylsulfonyl)aniline is sourced from PubChem (CID 81207309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).