4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid

C10H11Br2NO4S — CID 43705525

IUPAC4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H11Br2NO4S/c11-7-3-4-9(8(12)6-7)13-18(16,17)5-1-2-10(14)15/h3-4,6,13H,1-2,5H2,(H,14,15)
InChIKeyARFHBQYJPULQAD-UHFFFAOYSA-N
MW401.08 g/mol
LogP2.82
Rot. Bonds6

About 4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid

4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid (PubChem CID 43705525) has the molecular formula C10H11Br2NO4S and a molecular weight of 401.08 g/mol. Its IUPAC name is 4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
PubChem CID43705525
Molecular FormulaC10H11Br2NO4S
Molecular Weight401.08 g/mol
Exact Mass398.88
IUPAC Name4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H11Br2NO4S/c11-7-3-4-9(8(12)6-7)13-18(16,17)5-1-2-10(14)15/h3-4,6,13H,1-2,5H2,(H,14,15)
InChIKeyARFHBQYJPULQAD-UHFFFAOYSA-N
XLogP2.82
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.08
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
CID 43555610
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 106003329
3-[(4-bromo-2-ethylphenyl)sulfamoyl]propanoic acid
CID 81292251
3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid
CID 43555611
4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
CID 28773802
3-[(4-bromo-2-nitrophenyl)sulfamoyl]propanoic acid
CID 43715325
4-[(3-bromo-4-iodophenyl)sulfamoyl]butanoic acid
CID 114261899
4-[(2-bromo-4-methyl-5-nitrophenyl)sulfamoyl]butanoic acid
CID 104814757
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
3-[(2-bromo-5-methylphenyl)sulfamoyl]propanoic acid
CID 82760976
N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide
CID 106003339

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid (CID 43705525) is 4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid?
The InChIKey is ARFHBQYJPULQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO4S/c11-7-3-4-9(8(12)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-[(2,4-dibromophenyl)sulfamoyl]butanoic acid?
4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid has a molecular weight of 401.08 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43705525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).