4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine

C19H18FN3O4S — CID 23145595

IUPAC4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine
SMILESCCS(=O)(=O)c1ccc(Oc2cc(N)c(N)cc2Oc2ccccc2F)cn1
InChIInChI=1S/C19H18FN3O4S/c1-2-28(24,25)19-8-7-12(11-23-19)26-17-9-14(21)15(22)10-18(17)27-16-6-4-3-5-13(16)20/h3-11H,2,21-22H2,1H3
InChIKeyWJHUOPKARXZZOF-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.76
Rot. Bonds6

About 4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine

4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine (PubChem CID 23145595) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine
PubChem CID23145595
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC Name4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine
SMILESCCS(=O)(=O)c1ccc(Oc2cc(N)c(N)cc2Oc2ccccc2F)cn1
InChIInChI=1S/C19H18FN3O4S/c1-2-28(24,25)19-8-7-12(11-23-19)26-17-9-14(21)15(22)10-18(17)27-16-6-4-3-5-13(16)20/h3-11H,2,21-22H2,1H3
InChIKeyWJHUOPKARXZZOF-UHFFFAOYSA-N
XLogP3.76
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chlorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine
CID 23145248
6-bromo-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-3-iodopyridin-2-amine
CID 87540387
2-[[6-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]-3-fluorobenzamide
CID 11785921
4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
6-amino-2-fluoro-3-[(6-methylsulfonyl-3-pyridinyl)oxy]phenol
CID 58237043
5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine
CID 174492692
2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline
CID 66725908
2-[[6-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-benzimidazol-4-yl]oxy]-3-fluorobenzamide
CID 23145459
1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone
CID 113433083
2-bromo-4-(2-fluorophenoxy)aniline
CID 138707019
4-(2-fluorophenoxy)pyrimidin-5-amine
CID 79917585
[(E)-2-(2-fluorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane
CID 170607300

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine?
The IUPAC name of 4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine (CID 23145595) is 4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine.
What is the SMILES notation for 4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine?
The canonical SMILES for 4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine is CCS(=O)(=O)c1ccc(Oc2cc(N)c(N)cc2Oc2ccccc2F)cn1.
What is the InChIKey of 4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine?
The InChIKey is WJHUOPKARXZZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-2-28(24,25)19-8-7-12(11-23-19)26-17-9-14(21)15(22)10-18(17)27-16-6-4-3-5-13(16)20/h3-11H,2,21-22H2,1H3.
What are the key properties of 4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine?
4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine has a molecular weight of 403.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine is sourced from PubChem (CID 23145595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).