2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid

C14H12FNO4S — CID 110823533

IUPAC2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccccc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H12FNO4S/c15-11-7-5-10(6-8-11)9-16-21(19,20)13-4-2-1-3-12(13)14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyKXIWMJJBPVCGLM-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.00
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid

2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid (PubChem CID 110823533) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid
PubChem CID110823533
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid
SMILESO=C(O)c1ccccc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H12FNO4S/c15-11-7-5-10(6-8-11)9-16-21(19,20)13-4-2-1-3-12(13)14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyKXIWMJJBPVCGLM-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

2-(ethylsulfamoyl)benzoic acid
CID 18725198
4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521819
2-(fluorosulfamoyl)benzoic acid
CID 87516154
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
4-(benzylsulfamoyl)-2-fluorobenzoic acid
CID 91441664
2-[[(4-fluorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 17158189
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728
N-[(3-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241692
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
2-amino-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 115544478
3-[(4-fluorophenyl)methylamino]-2-methylbenzoic acid
CID 17058960

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid (CID 110823533) is 2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid is O=C(O)c1ccccc1S(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid?
The InChIKey is KXIWMJJBPVCGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c15-11-7-5-10(6-8-11)9-16-21(19,20)13-4-2-1-3-12(13)14(17)18/h1-8,16H,9H2,(H,17,18).
What are the key properties of 2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid?
2-[(4-fluorophenyl)methylsulfamoyl]benzoic 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 2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 110823533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).