5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline

C14H16N2O3S — CID 114599147

IUPAC5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline
SMILESCCc1ccc(Oc2ncccc2S(C)(=O)=O)c(N)c1
InChIInChI=1S/C14H16N2O3S/c1-3-10-6-7-12(11(15)9-10)19-14-13(20(2,17)18)5-4-8-16-14/h4-9H,3,15H2,1-2H3
InChIKeyRYEGTDYNOKXQGP-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.42
Rot. Bonds4

About 5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline

5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline (PubChem CID 114599147) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline
PubChem CID114599147
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline
SMILESCCc1ccc(Oc2ncccc2S(C)(=O)=O)c(N)c1
InChIInChI=1S/C14H16N2O3S/c1-3-10-6-7-12(11(15)9-10)19-14-13(20(2,17)18)5-4-8-16-14/h4-9H,3,15H2,1-2H3
InChIKeyRYEGTDYNOKXQGP-UHFFFAOYSA-N
XLogP2.42
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline?
The IUPAC name of 5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline (CID 114599147) is 5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline?
The canonical SMILES for 5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline is CCc1ccc(Oc2ncccc2S(C)(=O)=O)c(N)c1.
What is the InChIKey of 5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline?
The InChIKey is RYEGTDYNOKXQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-10-6-7-12(11(15)9-10)19-14-13(20(2,17)18)5-4-8-16-14/h4-9H,3,15H2,1-2H3.
What are the key properties of 5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline?
5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline has a molecular weight of 292.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 114599147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).