3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine

C19H18ClN3O4S — CID 23145248

IUPAC3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine
SMILESCCS(=O)(=O)c1ccc(Oc2cc(N)c(N)c(Oc3ccccc3Cl)c2)cn1
InChIInChI=1S/C19H18ClN3O4S/c1-2-28(24,25)18-8-7-12(11-23-18)26-13-9-15(21)19(22)17(10-13)27-16-6-4-3-5-14(16)20/h3-11H,2,21-22H2,1H3
InChIKeySUHIXNUGLNLKFH-UHFFFAOYSA-N
MW419.89 g/mol
LogP4.28
Rot. Bonds6

About 3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine

3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine (PubChem CID 23145248) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine
PubChem CID23145248
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC Name3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine
SMILESCCS(=O)(=O)c1ccc(Oc2cc(N)c(N)c(Oc3ccccc3Cl)c2)cn1
InChIInChI=1S/C19H18ClN3O4S/c1-2-28(24,25)18-8-7-12(11-23-18)26-13-9-15(21)19(22)17(10-13)27-16-6-4-3-5-14(16)20/h3-11H,2,21-22H2,1H3
InChIKeySUHIXNUGLNLKFH-UHFFFAOYSA-N
XLogP4.28
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine
CID 23145595
4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-nitroaniline
CID 150639219
6-bromo-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-3-iodopyridin-2-amine
CID 87540387
2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline
CID 66725908
4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide
CID 82902167
2-(2-chlorophenoxy)-5-methylpyridin-3-amine
CID 66279781
methyl 3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[(2S)-1-hydroxypropan-2-yl]oxybenzoate
CID 59475115
[5-(2-chlorophenoxy)pyrimidin-2-yl]methanamine
CID 115041207
6-(2-chlorophenoxy)-4-methylpyridin-3-amine
CID 79020774
3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-pyridin-2-ylbenzamide
CID 59811559
2-(2-chlorophenoxy)-4-methoxyphenol
CID 57036661
4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82900666

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine?
The IUPAC name of 3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine (CID 23145248) is 3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine.
What is the SMILES notation for 3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine?
The canonical SMILES for 3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine is CCS(=O)(=O)c1ccc(Oc2cc(N)c(N)c(Oc3ccccc3Cl)c2)cn1.
What is the InChIKey of 3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine?
The InChIKey is SUHIXNUGLNLKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c1-2-28(24,25)18-8-7-12(11-23-18)26-13-9-15(21)19(22)17(10-13)27-16-6-4-3-5-14(16)20/h3-11H,2,21-22H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine?
3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine has a molecular weight of 419.89 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine is sourced from PubChem (CID 23145248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).