2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid

C10H11Br2NO5S — CID 103410995

IUPAC2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid
SMILESCOc1cc(NS(=O)(=O)C(C)C(=O)O)c(Br)cc1Br
InChIInChI=1S/C10H11Br2NO5S/c1-5(10(14)15)19(16,17)13-8-4-9(18-2)7(12)3-6(8)11/h3-5,13H,1-2H3,(H,14,15)
InChIKeyRBFDPZKJNLXEGB-UHFFFAOYSA-N
MW417.08 g/mol
LogP2.43
Rot. Bonds5

About 2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid

2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid (PubChem CID 103410995) has the molecular formula C10H11Br2NO5S and a molecular weight of 417.08 g/mol. Its IUPAC name is 2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid
PubChem CID103410995
Molecular FormulaC10H11Br2NO5S
Molecular Weight417.08 g/mol
Exact Mass414.87
IUPAC Name2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid
SMILESCOc1cc(NS(=O)(=O)C(C)C(=O)O)c(Br)cc1Br
InChIInChI=1S/C10H11Br2NO5S/c1-5(10(14)15)19(16,17)13-8-4-9(18-2)7(12)3-6(8)11/h3-5,13H,1-2H3,(H,14,15)
InChIKeyRBFDPZKJNLXEGB-UHFFFAOYSA-N
XLogP2.43
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.08
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 54968220
3-(2,4-dibromo-5-methoxyanilino)-2-methylpropanoic acid
CID 103412855
2-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 103416279
2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 61455369
2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 104847953
2-[(2-bromo-4-cyanophenyl)sulfamoyl]propanoic acid
CID 54947598
2-[(2-bromo-4-ethoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 61455033
2-cyclopropyl-2-(2,4-dibromo-5-methoxyanilino)acetic acid
CID 103414999
N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide
CID 103416212
(2S)-2-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]butanoic acid
CID 103416237
5-chloro-2-methoxy-4-(propan-2-ylsulfonylamino)benzoic acid
CID 60860077
N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 103412574

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid (CID 103410995) is 2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid is COc1cc(NS(=O)(=O)C(C)C(=O)O)c(Br)cc1Br.
What is the InChIKey of 2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid?
The InChIKey is RBFDPZKJNLXEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO5S/c1-5(10(14)15)19(16,17)13-8-4-9(18-2)7(12)3-6(8)11/h3-5,13H,1-2H3,(H,14,15).
What are the key properties of 2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid?
2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid has a molecular weight of 417.08 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 103410995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).