methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate

C10H11BrClNO4S — CID 39965306

IUPACmethyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO4S/c1-13(6-10(14)17-2)18(15,16)9-4-3-7(11)5-8(9)12/h3-5H,6H2,1-2H3
InChIKeyDWRIZLSTNRFSLS-UHFFFAOYSA-N
MW356.63 g/mol
LogP1.90
Rot. Bonds4

About methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate

methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate (PubChem CID 39965306) has the molecular formula C10H11BrClNO4S and a molecular weight of 356.63 g/mol. Its IUPAC name is methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate
PubChem CID39965306
Molecular FormulaC10H11BrClNO4S
Molecular Weight356.63 g/mol
Exact Mass354.93
IUPAC Namemethyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO4S/c1-13(6-10(14)17-2)18(15,16)9-4-3-7(11)5-8(9)12/h3-5H,6H2,1-2H3
InChIKeyDWRIZLSTNRFSLS-UHFFFAOYSA-N
XLogP1.90
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.63
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]butanoate
CID 60715415
4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
4-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387516
methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate
CID 43422565
N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide
CID 32676028
methyl 2-[(5-amino-2-bromophenyl)sulfonyl-methylamino]acetate
CID 65202048
methyl 3-chloro-4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51107276
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 115611951
4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105420154
ethyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-ethylamino]acetate
CID 61012131
methyl 2-[(2-chloro-5-cyanophenyl)sulfonyl-methylamino]acetate
CID 80704406

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate (CID 39965306) is methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate is COC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is DWRIZLSTNRFSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO4S/c1-13(6-10(14)17-2)18(15,16)9-4-3-7(11)5-8(9)12/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate?
methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 356.63 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 39965306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).