benzene;2-fluorobenzenesulfonic acid

C12H11FO3S — CID 174946544

IUPACbenzene;2-fluorobenzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1F.c1ccccc1
InChIInChI=1S/C6H5FO3S.C6H6/c7-5-3-1-2-4-6(5)11(8,9)10;1-2-4-6-5-3-1/h1-4H,(H,8,9,10);1-6H
InChIKeyOPWSKPKHZIHBAJ-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.76
Rot. Bonds1

About benzene;2-fluorobenzenesulfonic acid

benzene;2-fluorobenzenesulfonic acid (PubChem CID 174946544) has the molecular formula C12H11FO3S and a molecular weight of 254.28 g/mol. Its IUPAC name is benzene;2-fluorobenzenesulfonic acid.

Molecular Properties

Compound Namebenzene;2-fluorobenzenesulfonic acid
PubChem CID174946544
Molecular FormulaC12H11FO3S
Molecular Weight254.28 g/mol
Exact Mass254.04
IUPAC Namebenzene;2-fluorobenzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1F.c1ccccc1
InChIInChI=1S/C6H5FO3S.C6H6/c7-5-3-1-2-4-6(5)11(8,9)10;1-2-4-6-5-3-1/h1-4H,(H,8,9,10);1-6H
InChIKeyOPWSKPKHZIHBAJ-UHFFFAOYSA-N
XLogP2.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.76
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-chlorobenzenesulfonic acid;2-fluorobenzenesulfonic acid
CID 161100557
2-fluorobenzenesulfonyl iodide
CID 23452806
1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium
CID 159777789
(2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane
CID 132598581
2,6-difluorobenzenesulfonic acid
CID 14766952
2-fluorobenzenesulfonate;triphenylsulfanium
CID 22481386
2-methylbenzenesulfonic acid
CID 6925
2,4-difluorobenzenesulfonic acid;hydroiodide
CID 172866056
lithium;2-sulfobenzoic acid;chloride
CID 87872456
lithium;2-fluorobenzenesulfonate;trifluoroborane
CID 160988464
2,5-difluorobenzenesulfonic acid;hydrochloride
CID 174777821
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076

Frequently Asked Questions

What is the IUPAC name of benzene;2-fluorobenzenesulfonic acid?
The IUPAC name of benzene;2-fluorobenzenesulfonic acid (CID 174946544) is benzene;2-fluorobenzenesulfonic acid.
What is the SMILES notation for benzene;2-fluorobenzenesulfonic acid?
The canonical SMILES for benzene;2-fluorobenzenesulfonic acid is O=S(=O)(O)c1ccccc1F.c1ccccc1.
What is the InChIKey of benzene;2-fluorobenzenesulfonic acid?
The InChIKey is OPWSKPKHZIHBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO3S.C6H6/c7-5-3-1-2-4-6(5)11(8,9)10;1-2-4-6-5-3-1/h1-4H,(H,8,9,10);1-6H.
What are the key properties of benzene;2-fluorobenzenesulfonic acid?
benzene;2-fluorobenzenesulfonic acid has a molecular weight of 254.28 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-fluorobenzenesulfonic acid is sourced from PubChem (CID 174946544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).