4-(benzylsulfamoyl)-2-fluorobenzoic acid

C14H12FNO4S — CID 91441664

IUPAC4-(benzylsulfamoyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1F
InChIInChI=1S/C14H12FNO4S/c15-13-8-11(6-7-12(13)14(17)18)21(19,20)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18)
InChIKeyZOIUYTKAZRGXFF-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.00
Rot. Bonds5

About 4-(benzylsulfamoyl)-2-fluorobenzoic acid

4-(benzylsulfamoyl)-2-fluorobenzoic acid (PubChem CID 91441664) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-(benzylsulfamoyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(benzylsulfamoyl)-2-fluorobenzoic acid
PubChem CID91441664
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name4-(benzylsulfamoyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1F
InChIInChI=1S/C14H12FNO4S/c15-13-8-11(6-7-12(13)14(17)18)21(19,20)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18)
InChIKeyZOIUYTKAZRGXFF-UHFFFAOYSA-N
XLogP2.00
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
3-amino-N-benzyl-4-fluorobenzenesulfonamide
CID 29272366
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
methyl 4-(benzylsulfamoyl)-2-methoxybenzoate
CID 66601229
2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid
CID 45411146
5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
CID 4104253
5-(benzylsulfamoyl)-2-[[(2R)-butan-2-yl]amino]benzoic acid
CID 99984205
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid
CID 99984246
4-(benzylsulfamoyl)benzoate
CID 4743721
5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99984343
2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid
CID 110823533

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfamoyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(benzylsulfamoyl)-2-fluorobenzoic acid (CID 91441664) is 4-(benzylsulfamoyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(benzylsulfamoyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(benzylsulfamoyl)-2-fluorobenzoic acid is O=C(O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1F.
What is the InChIKey of 4-(benzylsulfamoyl)-2-fluorobenzoic acid?
The InChIKey is ZOIUYTKAZRGXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c15-13-8-11(6-7-12(13)14(17)18)21(19,20)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18).
What are the key properties of 4-(benzylsulfamoyl)-2-fluorobenzoic acid?
4-(benzylsulfamoyl)-2-fluorobenzoic acid has a molecular weight of 309.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfamoyl)-2-fluorobenzoic acid is sourced from PubChem (CID 91441664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).