2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid

C9H9BrClNO4S — CID 104722416

IUPAC2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
SMILESCc1cc(Br)c(NS(=O)(=O)CC(=O)O)cc1Cl
InChIInChI=1S/C9H9BrClNO4S/c1-5-2-6(10)8(3-7(5)11)12-17(15,16)4-9(13)14/h2-3,12H,4H2,1H3,(H,13,14)
InChIKeyVGPPLKPHIUPSDC-UHFFFAOYSA-N
MW342.60 g/mol
LogP2.24
Rot. Bonds4

About 2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid

2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid (PubChem CID 104722416) has the molecular formula C9H9BrClNO4S and a molecular weight of 342.60 g/mol. Its IUPAC name is 2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
PubChem CID104722416
Molecular FormulaC9H9BrClNO4S
Molecular Weight342.60 g/mol
Exact Mass340.91
IUPAC Name2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
SMILESCc1cc(Br)c(NS(=O)(=O)CC(=O)O)cc1Cl
InChIInChI=1S/C9H9BrClNO4S/c1-5-2-6(10)8(3-7(5)11)12-17(15,16)4-9(13)14/h2-3,12H,4H2,1H3,(H,13,14)
InChIKeyVGPPLKPHIUPSDC-UHFFFAOYSA-N
XLogP2.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
CID 104725031
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]propanoic acid
CID 113445366
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 104725034
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078934
N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide
CID 104724279
2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
CID 104724802
N-(2-bromo-5-chloro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106078956
2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid
CID 107571632
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid (CID 104722416) is 2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid is Cc1cc(Br)c(NS(=O)(=O)CC(=O)O)cc1Cl.
What is the InChIKey of 2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid?
The InChIKey is VGPPLKPHIUPSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO4S/c1-5-2-6(10)8(3-7(5)11)12-17(15,16)4-9(13)14/h2-3,12H,4H2,1H3,(H,13,14).
What are the key properties of 2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid?
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid has a molecular weight of 342.60 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 104722416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).