5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride

C7H8ClFO4S — CID 174820317

IUPAC5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride
SMILESCOc1ccc(F)cc1S(=O)(=O)O.Cl
InChIInChI=1S/C7H7FO4S.ClH/c1-12-6-3-2-5(8)4-7(6)13(9,10)11;/h2-4H,1H3,(H,9,10,11);1H
InChIKeyMUOLGTJCBSURCB-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.50
Rot. Bonds2

About 5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride

5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride (PubChem CID 174820317) has the molecular formula C7H8ClFO4S and a molecular weight of 242.66 g/mol. Its IUPAC name is 5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride
PubChem CID174820317
Molecular FormulaC7H8ClFO4S
Molecular Weight242.66 g/mol
Exact Mass241.98
IUPAC Name5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride
SMILESCOc1ccc(F)cc1S(=O)(=O)O.Cl
InChIInChI=1S/C7H7FO4S.ClH/c1-12-6-3-2-5(8)4-7(6)13(9,10)11;/h2-4H,1H3,(H,9,10,11);1H
InChIKeyMUOLGTJCBSURCB-UHFFFAOYSA-N
XLogP1.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 54483925
2,5-difluorobenzenesulfonic acid;hydrochloride
CID 174777821
5-(hydroxymethyl)-2-methoxybenzenesulfonic acid
CID 87294269
3-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836017
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890558
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
5-(diazomethyl)-2-methoxybenzenesulfonic acid
CID 71373557
2-methoxy-5-(3-sulfophenyl)sulfonylbenzenesulfonic acid
CID 89324954
4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate
CID 7312195
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride?
The IUPAC name of 5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride (CID 174820317) is 5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride.
What is the SMILES notation for 5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride?
The canonical SMILES for 5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride is COc1ccc(F)cc1S(=O)(=O)O.Cl.
What is the InChIKey of 5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride?
The InChIKey is MUOLGTJCBSURCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO4S.ClH/c1-12-6-3-2-5(8)4-7(6)13(9,10)11;/h2-4H,1H3,(H,9,10,11);1H.
What are the key properties of 5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride?
5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride has a molecular weight of 242.66 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxybenzenesulfonic acid;hydrochloride is sourced from PubChem (CID 174820317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).