(2-phenylphenyl) 2-chlorobenzenesulfonate

C18H13ClO3S — CID 26946680

IUPAC(2-phenylphenyl) 2-chlorobenzenesulfonate
SMILESO=S(=O)(Oc1ccccc1-c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C18H13ClO3S/c19-16-11-5-7-13-18(16)23(20,21)22-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13H
InChIKeyXRYDTAUJACDTOX-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.77
Rot. Bonds4

About (2-phenylphenyl) 2-chlorobenzenesulfonate

(2-phenylphenyl) 2-chlorobenzenesulfonate (PubChem CID 26946680) has the molecular formula C18H13ClO3S and a molecular weight of 344.82 g/mol. Its IUPAC name is (2-phenylphenyl) 2-chlorobenzenesulfonate.

Molecular Properties

Compound Name(2-phenylphenyl) 2-chlorobenzenesulfonate
PubChem CID26946680
Molecular FormulaC18H13ClO3S
Molecular Weight344.82 g/mol
Exact Mass344.03
IUPAC Name(2-phenylphenyl) 2-chlorobenzenesulfonate
SMILESO=S(=O)(Oc1ccccc1-c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C18H13ClO3S/c19-16-11-5-7-13-18(16)23(20,21)22-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13H
InChIKeyXRYDTAUJACDTOX-UHFFFAOYSA-N
XLogP4.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl) 2-chlorobenzenesulfonate?
The IUPAC name of (2-phenylphenyl) 2-chlorobenzenesulfonate (CID 26946680) is (2-phenylphenyl) 2-chlorobenzenesulfonate.
What is the SMILES notation for (2-phenylphenyl) 2-chlorobenzenesulfonate?
The canonical SMILES for (2-phenylphenyl) 2-chlorobenzenesulfonate is O=S(=O)(Oc1ccccc1-c1ccccc1)c1ccccc1Cl.
What is the InChIKey of (2-phenylphenyl) 2-chlorobenzenesulfonate?
The InChIKey is XRYDTAUJACDTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO3S/c19-16-11-5-7-13-18(16)23(20,21)22-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13H.
What are the key properties of (2-phenylphenyl) 2-chlorobenzenesulfonate?
(2-phenylphenyl) 2-chlorobenzenesulfonate has a molecular weight of 344.82 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl) 2-chlorobenzenesulfonate is sourced from PubChem (CID 26946680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).