2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline

C16H19NO3S — CID 43444250

IUPAC2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline
SMILESCc1ccc(C)c(S(=O)(=O)CCOc2ccccc2N)c1
InChIInChI=1S/C16H19NO3S/c1-12-7-8-13(2)16(11-12)21(18,19)10-9-20-15-6-4-3-5-14(15)17/h3-8,11H,9-10,17H2,1-2H3
InChIKeyNMFONXNKWLIEPH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.74
Rot. Bonds5

About 2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline

2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline (PubChem CID 43444250) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline
PubChem CID43444250
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline
SMILESCc1ccc(C)c(S(=O)(=O)CCOc2ccccc2N)c1
InChIInChI=1S/C16H19NO3S/c1-12-7-8-13(2)16(11-12)21(18,19)10-9-20-15-6-4-3-5-14(15)17/h3-8,11H,9-10,17H2,1-2H3
InChIKeyNMFONXNKWLIEPH-UHFFFAOYSA-N
XLogP2.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.74
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

1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
CID 112727927
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]aniline
CID 112592654
ethyl 2-[2-(2-aminophenoxy)ethylsulfonyl]acetate
CID 43618414
1-amino-2-[2-(sulfamoylamino)ethoxy]benzene
CID 114958698
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
3-(2,5-dimethylphenyl)sulfonyl-1-phenylpropan-1-one
CID 116694859
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82840011
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 46307357

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline?
The IUPAC name of 2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline (CID 43444250) is 2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline.
What is the SMILES notation for 2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline?
The canonical SMILES for 2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline is Cc1ccc(C)c(S(=O)(=O)CCOc2ccccc2N)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline?
The InChIKey is NMFONXNKWLIEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-7-8-13(2)16(11-12)21(18,19)10-9-20-15-6-4-3-5-14(15)17/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline?
2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline has a molecular weight of 305.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline is sourced from PubChem (CID 43444250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).