4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol

C19H14ClFO4S — CID 157399683

IUPAC4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol
SMILESO=S(=O)(Cc1cc(-c2ccccc2)ccc1F)c1cc(Cl)c(O)cc1O
InChIInChI=1S/C19H14ClFO4S/c20-15-9-19(18(23)10-17(15)22)26(24,25)11-14-8-13(6-7-16(14)21)12-4-2-1-3-5-12/h1-10,22-23H,11H2
InChIKeyBMZPLPXNOBGQKH-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.53
Rot. Bonds4

About 4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol

4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol (PubChem CID 157399683) has the molecular formula C19H14ClFO4S and a molecular weight of 392.84 g/mol. Its IUPAC name is 4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol
PubChem CID157399683
Molecular FormulaC19H14ClFO4S
Molecular Weight392.84 g/mol
Exact Mass392.03
IUPAC Name4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol
SMILESO=S(=O)(Cc1cc(-c2ccccc2)ccc1F)c1cc(Cl)c(O)cc1O
InChIInChI=1S/C19H14ClFO4S/c20-15-9-19(18(23)10-17(15)22)26(24,25)11-14-8-13(6-7-16(14)21)12-4-2-1-3-5-12/h1-10,22-23H,11H2
InChIKeyBMZPLPXNOBGQKH-UHFFFAOYSA-N
XLogP4.53
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol?
The IUPAC name of 4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol (CID 157399683) is 4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol.
What is the SMILES notation for 4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol?
The canonical SMILES for 4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol is O=S(=O)(Cc1cc(-c2ccccc2)ccc1F)c1cc(Cl)c(O)cc1O.
What is the InChIKey of 4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol?
The InChIKey is BMZPLPXNOBGQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFO4S/c20-15-9-19(18(23)10-17(15)22)26(24,25)11-14-8-13(6-7-16(14)21)12-4-2-1-3-5-12/h1-10,22-23H,11H2.
What are the key properties of 4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol?
4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol has a molecular weight of 392.84 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol is sourced from PubChem (CID 157399683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).