2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline

C14H16N2O3S — CID 66725908

IUPAC2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline
SMILESCCc1cc(Oc2ccc(S(C)(=O)=O)nc2)ccc1N
InChIInChI=1S/C14H16N2O3S/c1-3-10-8-11(4-6-13(10)15)19-12-5-7-14(16-9-12)20(2,17)18/h4-9H,3,15H2,1-2H3
InChIKeyPOIIXYVOLKLBMA-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.42
Rot. Bonds4

About 2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline

2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline (PubChem CID 66725908) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline
PubChem CID66725908
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline
SMILESCCc1cc(Oc2ccc(S(C)(=O)=O)nc2)ccc1N
InChIInChI=1S/C14H16N2O3S/c1-3-10-8-11(4-6-13(10)15)19-12-5-7-14(16-9-12)20(2,17)18/h4-9H,3,15H2,1-2H3
InChIKeyPOIIXYVOLKLBMA-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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Related Compounds

4-[4-[4-(4-amino-3-ethylphenoxy)phenyl]sulfanylphenoxy]-2-ethylaniline
CID 139713087
5-(4-butylphenoxy)-2-methylsulfonylpyridine
CID 163959552
4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-nitroaniline
CID 150639219
6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol
CID 58237043
2-ethoxy-4-(4-methylsulfonylphenoxy)aniline
CID 63676144
4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline
CID 20537920
6-bromo-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-3-iodopyridin-2-amine
CID 87540387
2-[2-[7-ethyl-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetic acid
CID 58081018
3-[(6-methylsulfonyl-3-pyridinyl)oxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
CID 118454102
4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine
CID 23145595
3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine
CID 23145248
4-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-nitro-5-(1-oxidopyridin-1-ium-3-yl)oxyaniline
CID 23145625

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline?
The IUPAC name of 2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline (CID 66725908) is 2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline.
What is the SMILES notation for 2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline?
The canonical SMILES for 2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline is CCc1cc(Oc2ccc(S(C)(=O)=O)nc2)ccc1N.
What is the InChIKey of 2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline?
The InChIKey is POIIXYVOLKLBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-10-8-11(4-6-13(10)15)19-12-5-7-14(16-9-12)20(2,17)18/h4-9H,3,15H2,1-2H3.
What are the key properties of 2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline?
2-ethyl-4-[(6-methylsulfonyl-3-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 2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline is sourced from PubChem (CID 66725908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).