methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate

C10H12BrNO4S — CID 61359151

IUPACmethyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C10H12BrNO4S/c1-7-3-4-9(8(11)5-7)12-17(14,15)6-10(13)16-2/h3-5,12H,6H2,1-2H3
InChIKeyPAGCHITXWTXJME-UHFFFAOYSA-N
MW322.18 g/mol
LogP1.67
Rot. Bonds4

About methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate

methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate (PubChem CID 61359151) has the molecular formula C10H12BrNO4S and a molecular weight of 322.18 g/mol. Its IUPAC name is methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate
PubChem CID61359151
Molecular FormulaC10H12BrNO4S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC Namemethyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C10H12BrNO4S/c1-7-3-4-9(8(11)5-7)12-17(14,15)6-10(13)16-2/h3-5,12H,6H2,1-2H3
InChIKeyPAGCHITXWTXJME-UHFFFAOYSA-N
XLogP1.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]propanoate
CID 60675493
methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate
CID 54952049
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474
3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 63190339
methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate
CID 103480162
N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110426046
ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 54530763
N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
CID 61454090
methyl 2-[(2-aminophenyl)sulfamoyl]acetate
CID 14002853
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507966
methyl 2-(bromomethylsulfonylamino)-5-methylbenzoate
CID 83083614

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate (CID 61359151) is methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate?
The InChIKey is PAGCHITXWTXJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4S/c1-7-3-4-9(8(11)5-7)12-17(14,15)6-10(13)16-2/h3-5,12H,6H2,1-2H3.
What are the key properties of methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate?
methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate has a molecular weight of 322.18 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate is sourced from PubChem (CID 61359151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).