2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol

C19H14F2N2O3S — CID 136732050

IUPAC2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol
SMILESCc1ccc(S(=O)c2c(O)ccc(O)c2/N=N/c2cc(F)ccc2F)cc1
InChIInChI=1S/C19H14F2N2O3S/c1-11-2-5-13(6-3-11)27(26)19-17(25)9-8-16(24)18(19)23-22-15-10-12(20)4-7-14(15)21/h2-10,24-25H,1H3/b23-22+
InChIKeyXKCIJHZQJKDBJQ-GHVJWSGMSA-N
MW388.40 g/mol
LogP5.27
Rot. Bonds4

About 2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol

2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol (PubChem CID 136732050) has the molecular formula C19H14F2N2O3S and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol
PubChem CID136732050
Molecular FormulaC19H14F2N2O3S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC Name2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol
SMILESCc1ccc(S(=O)c2c(O)ccc(O)c2/N=N/c2cc(F)ccc2F)cc1
InChIInChI=1S/C19H14F2N2O3S/c1-11-2-5-13(6-3-11)27(26)19-17(25)9-8-16(24)18(19)23-22-15-10-12(20)4-7-14(15)21/h2-10,24-25H,1H3/b23-22+
InChIKeyXKCIJHZQJKDBJQ-GHVJWSGMSA-N
XLogP5.27
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.40
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol 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

2-amino-4-(4-methylphenyl)sulfinylphenol
CID 70533370
2-(2,5-difluorophenyl)-4-methylphenol
CID 83129807
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 140692156
3-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-6-methylpyran-2-one
CID 135461174
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
[3-(4-fluorophenyl)sulfinyl-5-methylphenyl]azanium;methanol
CID 143476580
2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol
CID 136862367
1,3-dichloro-2-(4-chlorophenyl)sulfinyl-5-methylbenzene
CID 23161669
(S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150635533
5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol?
The IUPAC name of 2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol (CID 136732050) is 2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol.
What is the SMILES notation for 2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol?
The canonical SMILES for 2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol is Cc1ccc(S(=O)c2c(O)ccc(O)c2/N=N/c2cc(F)ccc2F)cc1.
What is the InChIKey of 2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol?
The InChIKey is XKCIJHZQJKDBJQ-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H14F2N2O3S/c1-11-2-5-13(6-3-11)27(26)19-17(25)9-8-16(24)18(19)23-22-15-10-12(20)4-7-14(15)21/h2-10,24-25H,1H3/b23-22+.
What are the key properties of 2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol?
2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol has a molecular weight of 388.40 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol is sourced from PubChem (CID 136732050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).