4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid

C10H11BrFNO4S — CID 43555610

IUPAC4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H11BrFNO4S/c11-7-3-4-8(12)9(6-7)13-18(16,17)5-1-2-10(14)15/h3-4,6,13H,1-2,5H2,(H,14,15)
InChIKeyDAPSRCUNPUUEEU-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.19
Rot. Bonds6

About 4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid

4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid (PubChem CID 43555610) has the molecular formula C10H11BrFNO4S and a molecular weight of 340.17 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
PubChem CID43555610
Molecular FormulaC10H11BrFNO4S
Molecular Weight340.17 g/mol
Exact Mass338.96
IUPAC Name4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H11BrFNO4S/c11-7-3-4-8(12)9(6-7)13-18(16,17)5-1-2-10(14)15/h3-4,6,13H,1-2,5H2,(H,14,15)
InChIKeyDAPSRCUNPUUEEU-UHFFFAOYSA-N
XLogP2.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid
CID 43555611
4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
CID 43705525
4-[(5-bromo-2-fluorophenyl)methylsulfamoyl]butanoic acid
CID 61299271
N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide
CID 107650897
4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
CID 28773802
2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid
CID 28774124
3-[(5-bromo-2-cyanophenyl)sulfamoyl]propanoic acid
CID 114002445
3-[(4-bromo-2-ethylphenyl)sulfamoyl]propanoic acid
CID 81292251
methyl 4-[(2-fluoro-5-methylphenyl)sulfamoyl]butanoate
CID 61460150
4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
4-[(3-bromo-4-iodophenyl)sulfamoyl]butanoic acid
CID 114261899

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid (CID 43555610) is 4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of 4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid?
The InChIKey is DAPSRCUNPUUEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO4S/c11-7-3-4-8(12)9(6-7)13-18(16,17)5-1-2-10(14)15/h3-4,6,13H,1-2,5H2,(H,14,15).
What are the key properties of 4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid?
4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid has a molecular weight of 340.17 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43555610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).