5-fluorosulfonyl-2-iodobenzoic acid

C7H4FIO4S — CID 166000203

IUPAC5-fluorosulfonyl-2-iodobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)F)ccc1I
InChIInChI=1S/C7H4FIO4S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKeyJRLVYQNMFUVNAV-UHFFFAOYSA-N
MW330.07 g/mol
LogP1.65
Rot. Bonds2

About 5-fluorosulfonyl-2-iodobenzoic acid

5-fluorosulfonyl-2-iodobenzoic acid (PubChem CID 166000203) has the molecular formula C7H4FIO4S and a molecular weight of 330.07 g/mol. Its IUPAC name is 5-fluorosulfonyl-2-iodobenzoic acid.

Molecular Properties

Compound Name5-fluorosulfonyl-2-iodobenzoic acid
PubChem CID166000203
Molecular FormulaC7H4FIO4S
Molecular Weight330.07 g/mol
Exact Mass329.89
IUPAC Name5-fluorosulfonyl-2-iodobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)F)ccc1I
InChIInChI=1S/C7H4FIO4S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKeyJRLVYQNMFUVNAV-UHFFFAOYSA-N
XLogP1.65
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.07
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(hydroxysulfamoyl)-2-iodobenzoic acid
CID 103962652
5-(dimethylaminosulfamoyl)-2-iodobenzoic acid
CID 103962667
5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962258
5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962355
5-[ethyl(propan-2-yl)sulfamoyl]-2-iodobenzoic acid
CID 113359349
2-iodo-5-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoic acid
CID 103962359
5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid
CID 103962204
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-iodobenzoic acid
CID 106168555
2-iodo-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 103962224
2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid
CID 102695735
2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 103962275
5-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2-iodobenzoic acid
CID 103962395

Frequently Asked Questions

What is the IUPAC name of 5-fluorosulfonyl-2-iodobenzoic acid?
The IUPAC name of 5-fluorosulfonyl-2-iodobenzoic acid (CID 166000203) is 5-fluorosulfonyl-2-iodobenzoic acid.
What is the SMILES notation for 5-fluorosulfonyl-2-iodobenzoic acid?
The canonical SMILES for 5-fluorosulfonyl-2-iodobenzoic acid is O=C(O)c1cc(S(=O)(=O)F)ccc1I.
What is the InChIKey of 5-fluorosulfonyl-2-iodobenzoic acid?
The InChIKey is JRLVYQNMFUVNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FIO4S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11).
What are the key properties of 5-fluorosulfonyl-2-iodobenzoic acid?
5-fluorosulfonyl-2-iodobenzoic acid has a molecular weight of 330.07 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorosulfonyl-2-iodobenzoic acid is sourced from PubChem (CID 166000203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).