3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid

C9H8Br3NO4S — CID 28991675

IUPAC3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C9H8Br3NO4S/c10-5-3-6(11)9(7(12)4-5)13-18(16,17)2-1-8(14)15/h3-4,13H,1-2H2,(H,14,15)
InChIKeyKOESJOCFRQBJIG-UHFFFAOYSA-N
MW465.95 g/mol
LogP3.19
Rot. Bonds5

About 3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid

3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid (PubChem CID 28991675) has the molecular formula C9H8Br3NO4S and a molecular weight of 465.95 g/mol. Its IUPAC name is 3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid
PubChem CID28991675
Molecular FormulaC9H8Br3NO4S
Molecular Weight465.95 g/mol
Exact Mass462.77
IUPAC Name3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C9H8Br3NO4S/c10-5-3-6(11)9(7(12)4-5)13-18(16,17)2-1-8(14)15/h3-4,13H,1-2H2,(H,14,15)
InChIKeyKOESJOCFRQBJIG-UHFFFAOYSA-N
XLogP3.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.95
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 114134333
3,5-dibromo-2-[(3-methoxy-3-oxopropyl)sulfonylamino]benzoic acid
CID 63111808
3,5-dibromo-2-(2-methoxyethylsulfonylamino)benzoic acid
CID 63111807
4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
CID 43705525
3-[(2-bromo-5-methylphenyl)sulfamoyl]propanoic acid
CID 82760976
3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid
CID 43555611
3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
CID 114051258
3-[(4-bromo-2-ethylphenyl)sulfamoyl]propanoic acid
CID 81292251
3-(propylamino)-N-(2,4,6-tribromophenyl)propane-1-sulfonamide
CID 106002412
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
3-[(2,6-diethylphenyl)sulfamoyl]propanoic acid
CID 28514287
3,5-dibromo-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79592438

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid (CID 28991675) is 3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid?
The InChIKey is KOESJOCFRQBJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br3NO4S/c10-5-3-6(11)9(7(12)4-5)13-18(16,17)2-1-8(14)15/h3-4,13H,1-2H2,(H,14,15).
What are the key properties of 3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid?
3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid has a molecular weight of 465.95 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,6-tribromophenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 28991675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).