3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid

C9H9BrFNO4S — CID 43555611

IUPAC3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C9H9BrFNO4S/c10-6-1-2-7(11)8(5-6)12-17(15,16)4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKeyHZFDZPWVNMOBFH-UHFFFAOYSA-N
MW326.14 g/mol
LogP1.80
Rot. Bonds5

About 3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid

3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid (PubChem CID 43555611) has the molecular formula C9H9BrFNO4S and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid
PubChem CID43555611
Molecular FormulaC9H9BrFNO4S
Molecular Weight326.14 g/mol
Exact Mass324.94
IUPAC Name3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C9H9BrFNO4S/c10-6-1-2-7(11)8(5-6)12-17(15,16)4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKeyHZFDZPWVNMOBFH-UHFFFAOYSA-N
XLogP1.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
CID 43555610
N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide
CID 107650897
3-[(5-bromo-2-cyanophenyl)sulfamoyl]propanoic acid
CID 114002445
3-[(4-bromo-2-ethylphenyl)sulfamoyl]propanoic acid
CID 81292251
2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid
CID 28774124
3-[(4-bromo-2-nitrophenyl)sulfamoyl]propanoic acid
CID 43715325
4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
CID 43705525
2-(5-bromo-2-fluoroanilino)acetic acid
CID 43555633
3-[(2-bromo-5-methylphenyl)sulfamoyl]propanoic acid
CID 82760976
3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid
CID 28991675
2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43555976
4-[(5-bromo-2-fluorophenyl)methylsulfamoyl]butanoic acid
CID 61299271

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid (CID 43555611) is 3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid?
The InChIKey is HZFDZPWVNMOBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO4S/c10-6-1-2-7(11)8(5-6)12-17(15,16)4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14).
What are the key properties of 3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid?
3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid has a molecular weight of 326.14 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43555611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).