2-(fluorosulfamoyl)benzoic acid

C7H6FNO4S — CID 87516154

IUPAC2-(fluorosulfamoyl)benzoic acid
SMILESO=C(O)c1ccccc1S(=O)(=O)NF
InChIInChI=1S/C7H6FNO4S/c8-9-14(12,13)6-4-2-1-3-5(6)7(10)11/h1-4,9H,(H,10,11)
InChIKeyVFRISUWSHCZDSH-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.55
Rot. Bonds3

About 2-(fluorosulfamoyl)benzoic acid

2-(fluorosulfamoyl)benzoic acid (PubChem CID 87516154) has the molecular formula C7H6FNO4S and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-(fluorosulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(fluorosulfamoyl)benzoic acid
PubChem CID87516154
Molecular FormulaC7H6FNO4S
Molecular Weight219.19 g/mol
Exact Mass219.00
IUPAC Name2-(fluorosulfamoyl)benzoic acid
SMILESO=C(O)c1ccccc1S(=O)(=O)NF
InChIInChI=1S/C7H6FNO4S/c8-9-14(12,13)6-4-2-1-3-5(6)7(10)11/h1-4,9H,(H,10,11)
InChIKeyVFRISUWSHCZDSH-UHFFFAOYSA-N
XLogP0.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylsulfamoyl)benzoic acid
CID 18725198
2-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 12017862
lithium;2-sulfobenzoic acid;chloride
CID 87872456
2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid
CID 110823533
2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215504
CID 66717184
CID 66717184
2-(acetylcarbamoylcarbamoylcarbamoylsulfamoyl)benzoic acid
CID 101030339
2-[[4-[2-[(2-carboxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 3328320
benzoic acid;2-sulfobenzoic acid
CID 88764691
dilithium;hydride;phthalic acid
CID 173011412
2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 22649977
2-benzylsulfonylbenzoic acid
CID 561426

Frequently Asked Questions

What is the IUPAC name of 2-(fluorosulfamoyl)benzoic acid?
The IUPAC name of 2-(fluorosulfamoyl)benzoic acid (CID 87516154) is 2-(fluorosulfamoyl)benzoic acid.
What is the SMILES notation for 2-(fluorosulfamoyl)benzoic acid?
The canonical SMILES for 2-(fluorosulfamoyl)benzoic acid is O=C(O)c1ccccc1S(=O)(=O)NF.
What is the InChIKey of 2-(fluorosulfamoyl)benzoic acid?
The InChIKey is VFRISUWSHCZDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO4S/c8-9-14(12,13)6-4-2-1-3-5(6)7(10)11/h1-4,9H,(H,10,11).
What are the key properties of 2-(fluorosulfamoyl)benzoic acid?
2-(fluorosulfamoyl)benzoic acid has a molecular weight of 219.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluorosulfamoyl)benzoic acid is sourced from PubChem (CID 87516154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).