methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate

C11H14ClNO5S — CID 43422565

IUPACmethyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C11H14ClNO5S/c1-13(7-11(14)18-3)19(15,16)10-5-4-8(12)6-9(10)17-2/h4-6H,7H2,1-3H3
InChIKeyJLOAANRBPMAMNQ-UHFFFAOYSA-N
MW307.76 g/mol
LogP1.14
Rot. Bonds5

About methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate

methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate (PubChem CID 43422565) has the molecular formula C11H14ClNO5S and a molecular weight of 307.76 g/mol. Its IUPAC name is methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate
PubChem CID43422565
Molecular FormulaC11H14ClNO5S
Molecular Weight307.76 g/mol
Exact Mass307.03
IUPAC Namemethyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C11H14ClNO5S/c1-13(7-11(14)18-3)19(15,16)10-5-4-8(12)6-9(10)17-2/h4-6H,7H2,1-3H3
InChIKeyJLOAANRBPMAMNQ-UHFFFAOYSA-N
XLogP1.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate
CID 39965306
4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 61233833
2-[(4-chloro-2-methoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61007535
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 45373349
5-chloro-2-methoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 6493711
methyl 4-[[2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373356
methyl 2-[(2-methoxy-5-nitrophenyl)sulfonyl-methylamino]acetate
CID 43408385
N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide
CID 115317679
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346
4-chloro-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 54879156
methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51107275
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 45373445

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate?
The IUPAC name of methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate (CID 43422565) is methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate is COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1OC.
What is the InChIKey of methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate?
The InChIKey is JLOAANRBPMAMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-13(7-11(14)18-3)19(15,16)10-5-4-8(12)6-9(10)17-2/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate?
methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate has a molecular weight of 307.76 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 43422565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).