2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol

C18H13ClO3S — CID 67240920

IUPAC2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C18H13ClO3S/c19-14-8-11-18(20)17(12-14)13-6-9-16(10-7-13)23(21,22)15-4-2-1-3-5-15/h1-12,20H
InChIKeyUYBVYYOZWIKJHS-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.55
Rot. Bonds3

About 2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol

2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol (PubChem CID 67240920) has the molecular formula C18H13ClO3S and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol
PubChem CID67240920
Molecular FormulaC18H13ClO3S
Molecular Weight344.82 g/mol
Exact Mass344.03
IUPAC Name2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C18H13ClO3S/c19-14-8-11-18(20)17(12-14)13-6-9-16(10-7-13)23(21,22)15-4-2-1-3-5-15/h1-12,20H
InChIKeyUYBVYYOZWIKJHS-UHFFFAOYSA-N
XLogP4.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol 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 2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol?
The IUPAC name of 2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol (CID 67240920) is 2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol.
What is the SMILES notation for 2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol?
The canonical SMILES for 2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol is O=S(=O)(c1ccccc1)c1ccc(-c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol?
The InChIKey is UYBVYYOZWIKJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO3S/c19-14-8-11-18(20)17(12-14)13-6-9-16(10-7-13)23(21,22)15-4-2-1-3-5-15/h1-12,20H.
What are the key properties of 2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol?
2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol has a molecular weight of 344.82 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)phenyl]-4-chlorophenol is sourced from PubChem (CID 67240920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).