4-chloro-2-(2-methoxyethylsulfinyl)aniline

C9H12ClNO2S — CID 81180933

IUPAC4-chloro-2-(2-methoxyethylsulfinyl)aniline
SMILESCOCCS(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C9H12ClNO2S/c1-13-4-5-14(12)9-6-7(10)2-3-8(9)11/h2-3,6H,4-5,11H2,1H3
InChIKeyMMQULBLDRQHYTI-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.68
Rot. Bonds4

About 4-chloro-2-(2-methoxyethylsulfinyl)aniline

4-chloro-2-(2-methoxyethylsulfinyl)aniline (PubChem CID 81180933) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethylsulfinyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethylsulfinyl)aniline
PubChem CID81180933
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name4-chloro-2-(2-methoxyethylsulfinyl)aniline
SMILESCOCCS(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C9H12ClNO2S/c1-13-4-5-14(12)9-6-7(10)2-3-8(9)11/h2-3,6H,4-5,11H2,1H3
InChIKeyMMQULBLDRQHYTI-UHFFFAOYSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-propylsulfinylaniline
CID 81180931
4-bromo-2-(2-methoxyethylsulfinyl)aniline
CID 81207153
4-ethoxy-2-(2-methoxyethylsulfinyl)aniline
CID 81176021
4-chloro-2-(3-ethylsulfonylpropylsulfinyl)aniline
CID 81181219
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline
CID 104568936
4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline
CID 104568938
N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61287840
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 102879929
2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide
CID 81180842
5-chloro-2-propylsulfinylaniline
CID 81175936
5-chloro-2-[2-(3-methylbutoxy)ethylsulfinyl]aniline
CID 81175813
4-chloro-2-pentan-3-ylsulfinylaniline
CID 81181297

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethylsulfinyl)aniline?
The IUPAC name of 4-chloro-2-(2-methoxyethylsulfinyl)aniline (CID 81180933) is 4-chloro-2-(2-methoxyethylsulfinyl)aniline.
What is the SMILES notation for 4-chloro-2-(2-methoxyethylsulfinyl)aniline?
The canonical SMILES for 4-chloro-2-(2-methoxyethylsulfinyl)aniline is COCCS(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(2-methoxyethylsulfinyl)aniline?
The InChIKey is MMQULBLDRQHYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-13-4-5-14(12)9-6-7(10)2-3-8(9)11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 4-chloro-2-(2-methoxyethylsulfinyl)aniline?
4-chloro-2-(2-methoxyethylsulfinyl)aniline has a molecular weight of 233.72 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethylsulfinyl)aniline is sourced from PubChem (CID 81180933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).