methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate

C9H9Br2NO4S — CID 43404988

IUPACmethyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C9H9Br2NO4S/c1-16-9(13)5-12-17(14,15)8-4-6(10)2-3-7(8)11/h2-4,12H,5H2,1H3
InChIKeyBJHRWHPDCQJRNY-UHFFFAOYSA-N
MW387.05 g/mol
LogP1.66
Rot. Bonds4

About methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate

methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate (PubChem CID 43404988) has the molecular formula C9H9Br2NO4S and a molecular weight of 387.05 g/mol. Its IUPAC name is methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate
PubChem CID43404988
Molecular FormulaC9H9Br2NO4S
Molecular Weight387.05 g/mol
Exact Mass384.86
IUPAC Namemethyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C9H9Br2NO4S/c1-16-9(13)5-12-17(14,15)8-4-6(10)2-3-7(8)11/h2-4,12H,5H2,1H3
InChIKeyBJHRWHPDCQJRNY-UHFFFAOYSA-N
XLogP1.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate
CID 60643187
3-bromo-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid
CID 28540514
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 43423225
3-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 78953522
2-[(5-bromo-2-methylphenyl)sulfonylamino]acetic acid
CID 43240842
2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573
2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 35523293
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
CID 60823111
2,5-dibromo-N-ethoxybenzenesulfonamide
CID 60700593

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate (CID 43404988) is methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate?
The InChIKey is BJHRWHPDCQJRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO4S/c1-16-9(13)5-12-17(14,15)8-4-6(10)2-3-7(8)11/h2-4,12H,5H2,1H3.
What are the key properties of methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate?
methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate has a molecular weight of 387.05 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate is sourced from PubChem (CID 43404988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).