2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid

C10H12BrNO5S — CID 54968220

IUPAC2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid
SMILESCOc1ccc(Br)cc1NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H12BrNO5S/c1-6(10(13)14)18(15,16)12-8-5-7(11)3-4-9(8)17-2/h3-6,12H,1-2H3,(H,13,14)
InChIKeyRPYSMTZITFJXAV-UHFFFAOYSA-N
MW338.18 g/mol
LogP1.67
Rot. Bonds5

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

2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid (PubChem CID 54968220) has the molecular formula C10H12BrNO5S and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid
PubChem CID54968220
Molecular FormulaC10H12BrNO5S
Molecular Weight338.18 g/mol
Exact Mass336.96
IUPAC Name2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid
SMILESCOc1ccc(Br)cc1NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C10H12BrNO5S/c1-6(10(13)14)18(15,16)12-8-5-7(11)3-4-9(8)17-2/h3-6,12H,1-2H3,(H,13,14)
InChIKeyRPYSMTZITFJXAV-UHFFFAOYSA-N
XLogP1.67
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 61455369
2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid
CID 103410995
2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 104847953
4-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
CID 61458795
4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54967949
2-[(5-bromo-2-methoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 62639776
5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
CID 62072595
2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid
CID 61454221
N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide
CID 54967415
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
methyl 3-(5-bromo-2-methoxyanilino)-2-methylbutanoate
CID 79391329
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid (CID 54968220) is 2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid is COc1ccc(Br)cc1NS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid?
The InChIKey is RPYSMTZITFJXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO5S/c1-6(10(13)14)18(15,16)12-8-5-7(11)3-4-9(8)17-2/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid?
2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid has a molecular weight of 338.18 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 54968220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).