5-chloro-2-(2-methylsulfonylethoxy)aniline

C9H12ClNO3S — CID 56828923

IUPAC5-chloro-2-(2-methylsulfonylethoxy)aniline
SMILESCS(=O)(=O)CCOc1ccc(Cl)cc1N
InChIInChI=1S/C9H12ClNO3S/c1-15(12,13)5-4-14-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,11H2,1H3
InChIKeyQBTGBLYBYCOTGN-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.35
Rot. Bonds4

About 5-chloro-2-(2-methylsulfonylethoxy)aniline

5-chloro-2-(2-methylsulfonylethoxy)aniline (PubChem CID 56828923) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 5-chloro-2-(2-methylsulfonylethoxy)aniline.

Molecular Properties

Compound Name5-chloro-2-(2-methylsulfonylethoxy)aniline
PubChem CID56828923
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name5-chloro-2-(2-methylsulfonylethoxy)aniline
SMILESCS(=O)(=O)CCOc1ccc(Cl)cc1N
InChIInChI=1S/C9H12ClNO3S/c1-15(12,13)5-4-14-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,11H2,1H3
InChIKeyQBTGBLYBYCOTGN-UHFFFAOYSA-N
XLogP1.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721632
1-[5-chloro-2-(2-methylsulfonylethoxy)phenyl]propan-2-amine
CID 54937433
5-chloro-2-decoxyaniline
CID 55187694
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
4-(2-amino-4-chlorophenoxy)-2-methylbutan-2-ol
CID 79360783
5-chloro-2-(3,3,3-trifluoropropoxy)aniline
CID 62056679
1-tert-butyl-3-[5-chloro-2-(2-methylsulfonylethoxy)phenyl]urea
CID 122143492
1-[5-chloro-2-(3-methylsulfonylpropoxy)phenyl]-N-methylmethanamine
CID 55160595
2-(4-chloro-2-methylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62572163
5-chloro-2-[2-(2,3,6-trimethylphenoxy)ethoxy]aniline
CID 39438999
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline
CID 39399760
2-methylsulfonylethyl 2-amino-5-chlorobenzoate
CID 61321513

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylsulfonylethoxy)aniline?
The IUPAC name of 5-chloro-2-(2-methylsulfonylethoxy)aniline (CID 56828923) is 5-chloro-2-(2-methylsulfonylethoxy)aniline.
What is the SMILES notation for 5-chloro-2-(2-methylsulfonylethoxy)aniline?
The canonical SMILES for 5-chloro-2-(2-methylsulfonylethoxy)aniline is CS(=O)(=O)CCOc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-(2-methylsulfonylethoxy)aniline?
The InChIKey is QBTGBLYBYCOTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-15(12,13)5-4-14-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 5-chloro-2-(2-methylsulfonylethoxy)aniline?
5-chloro-2-(2-methylsulfonylethoxy)aniline has a molecular weight of 249.72 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylsulfonylethoxy)aniline is sourced from PubChem (CID 56828923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).