4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid

C13H9BrFNO4S — CID 65436899

IUPAC4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C13H9BrFNO4S/c14-11-6-3-9(7-12(11)15)16-21(19,20)10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18)
InChIKeySDUJJVNNXSBYRR-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.09
Rot. Bonds4

About 4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid

4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid (PubChem CID 65436899) has the molecular formula C13H9BrFNO4S and a molecular weight of 374.19 g/mol. Its IUPAC name is 4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid
PubChem CID65436899
Molecular FormulaC13H9BrFNO4S
Molecular Weight374.19 g/mol
Exact Mass372.94
IUPAC Name4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C13H9BrFNO4S/c14-11-6-3-9(7-12(11)15)16-21(19,20)10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18)
InChIKeySDUJJVNNXSBYRR-UHFFFAOYSA-N
XLogP3.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
4-[(3-fluoro-5-methylphenyl)sulfamoyl]benzoic acid
CID 79041528
N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide
CID 3568453
4-bromo-3-fluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 97161992
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
CID 25035947
N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
CID 65430879
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid (CID 65436899) is 4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)cc1.
What is the InChIKey of 4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid?
The InChIKey is SDUJJVNNXSBYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO4S/c14-11-6-3-9(7-12(11)15)16-21(19,20)10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid?
4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid has a molecular weight of 374.19 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 65436899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).