2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid

C18H13ClO3S — CID 87704061

IUPAC2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1-c1ccccc1-c1ccccc1Cl
InChIInChI=1S/C18H13ClO3S/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)23(20,21)22/h1-12H,(H,20,21,22)
InChIKeyAEQFMIIWYRCNRD-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.92
Rot. Bonds3

About 2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid

2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid (PubChem CID 87704061) has the molecular formula C18H13ClO3S and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid
PubChem CID87704061
Molecular FormulaC18H13ClO3S
Molecular Weight344.82 g/mol
Exact Mass344.03
IUPAC Name2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1-c1ccccc1-c1ccccc1Cl
InChIInChI=1S/C18H13ClO3S/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)23(20,21)22/h1-12H,(H,20,21,22)
InChIKeyAEQFMIIWYRCNRD-UHFFFAOYSA-N
XLogP4.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chlorophenyl)phenyl]benzenesulfonamide
CID 175024723
potassium;2-chlorobenzenesulfonic acid;hydride
CID 173108093
4-(2-chlorophenyl)benzenesulfonic acid
CID 82134205
2-chlorobenzenesulfonic acid;2-fluorobenzenesulfonic acid
CID 161100557
3-chloro-2-iodobenzenesulfonic acid
CID 151573815
2-(4-phenylphenyl)benzenesulfonic acid
CID 19793885
3-chloro-2-phenylbenzenesulfonic acid
CID 54507114
2-chloro-6-(3-chloro-2-sulfophenyl)benzenesulfonic acid
CID 87444552
1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene
CID 139890496
biphenylene-1,5-disulfonic acid
CID 165163925
3-(2-sulfophenyl)phthalic acid
CID 18004376
2-(4-amino-2-hydroxyphenyl)benzenesulfonic acid
CID 139847780

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid?
The IUPAC name of 2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid (CID 87704061) is 2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid.
What is the SMILES notation for 2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid?
The canonical SMILES for 2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid is O=S(=O)(O)c1ccccc1-c1ccccc1-c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid?
The InChIKey is AEQFMIIWYRCNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO3S/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)23(20,21)22/h1-12H,(H,20,21,22).
What are the key properties of 2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid?
2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid has a molecular weight of 344.82 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid is sourced from PubChem (CID 87704061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).