methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate

C10H11BrClNO5S — CID 43423225

IUPACmethyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C10H11BrClNO5S/c1-17-9(14)5-13-19(15,16)8-4-6(12)3-7(11)10(8)18-2/h3-4,13H,5H2,1-2H3
InChIKeyJGXNOEZWWDZWDN-UHFFFAOYSA-N
MW372.62 g/mol
LogP1.56
Rot. Bonds5

About methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate

methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate (PubChem CID 43423225) has the molecular formula C10H11BrClNO5S and a molecular weight of 372.62 g/mol. Its IUPAC name is methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate
PubChem CID43423225
Molecular FormulaC10H11BrClNO5S
Molecular Weight372.62 g/mol
Exact Mass370.92
IUPAC Namemethyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C10H11BrClNO5S/c1-17-9(14)5-13-19(15,16)8-4-6(12)3-7(11)10(8)18-2/h3-4,13H,5H2,1-2H3
InChIKeyJGXNOEZWWDZWDN-UHFFFAOYSA-N
XLogP1.56
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 43502221
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
3-bromo-5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112812715
methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate
CID 43624222
methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate
CID 43404988
3-bromo-5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzenesulfonamide
CID 61247098
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
3-bromo-5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methoxybenzenesulfonamide
CID 65231743
3-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 55995395
3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 103836067
3-bromo-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid
CID 28540514
2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 31777079

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate (CID 43423225) is methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1cc(Cl)cc(Br)c1OC.
What is the InChIKey of methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate?
The InChIKey is JGXNOEZWWDZWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO5S/c1-17-9(14)5-13-19(15,16)8-4-6(12)3-7(11)10(8)18-2/h3-4,13H,5H2,1-2H3.
What are the key properties of methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate?
methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate has a molecular weight of 372.62 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 43423225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).