5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid

C13H9FINO4S — CID 103962204

IUPAC5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1I
InChIInChI=1S/C13H9FINO4S/c14-10-3-1-2-4-12(10)16-21(19,20)8-5-6-11(15)9(7-8)13(17)18/h1-7,16H,(H,17,18)
InChIKeyWYBCWDQREBVHMV-UHFFFAOYSA-N
MW421.19 g/mol
LogP2.93
Rot. Bonds4

About 5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid

5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid (PubChem CID 103962204) has the molecular formula C13H9FINO4S and a molecular weight of 421.19 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid
PubChem CID103962204
Molecular FormulaC13H9FINO4S
Molecular Weight421.19 g/mol
Exact Mass420.93
IUPAC Name5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1I
InChIInChI=1S/C13H9FINO4S/c14-10-3-1-2-4-12(10)16-21(19,20)8-5-6-11(15)9(7-8)13(17)18/h1-7,16H,(H,17,18)
InChIKeyWYBCWDQREBVHMV-UHFFFAOYSA-N
XLogP2.93
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.19
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
2-iodo-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 103962591
2-iodo-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 103962224
5-(hydroxysulfamoyl)-2-iodobenzoic acid
CID 103962652
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 8707607
5-fluorosulfonyl-2-iodobenzoic acid
CID 166000203
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
5-(dimethylaminosulfamoyl)-2-iodobenzoic acid
CID 103962667
2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid
CID 43237867

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid?
The IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid (CID 103962204) is 5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid?
The canonical SMILES for 5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1I.
What is the InChIKey of 5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid?
The InChIKey is WYBCWDQREBVHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FINO4S/c14-10-3-1-2-4-12(10)16-21(19,20)8-5-6-11(15)9(7-8)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid?
5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid has a molecular weight of 421.19 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid is sourced from PubChem (CID 103962204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).