methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate

C14H19ClN2O6S — CID 30872480

IUPACmethyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl
InChIInChI=1S/C14H19ClN2O6S/c1-17(9-13(18)16-6-7-22-2)24(20,21)12-8-10(14(19)23-3)4-5-11(12)15/h4-5,8H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyOLPJVMIHWINPST-UHFFFAOYSA-N
MW378.83 g/mol
LogP0.51
Rot. Bonds8

About methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate

methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate (PubChem CID 30872480) has the molecular formula C14H19ClN2O6S and a molecular weight of 378.83 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
PubChem CID30872480
Molecular FormulaC14H19ClN2O6S
Molecular Weight378.83 g/mol
Exact Mass378.07
IUPAC Namemethyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl
InChIInChI=1S/C14H19ClN2O6S/c1-17(9-13(18)16-6-7-22-2)24(20,21)12-8-10(14(19)23-3)4-5-11(12)15/h4-5,8H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyOLPJVMIHWINPST-UHFFFAOYSA-N
XLogP0.51
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate 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

4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685378
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 38253630
methyl 3-chloro-4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51107276
3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 103734742
methyl 4-chloro-3-chlorosulfonylbenzoate
CID 18071846
methyl 4-chloro-3-[ethyl(2-methylprop-2-enyl)sulfamoyl]benzoate
CID 52575980
N-(2-methoxyethyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2207014
methyl 3-[acetyl-[2-(3-methoxypropylamino)-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176515
methyl 4-chloro-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)sulfamoyl]benzoate
CID 35306104
methyl 4-chloro-3-[[2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 38039964
N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide
CID 38253533
(4-methoxycarbonylphenyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 9192150

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate (CID 30872480) is methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate is COCCNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl.
What is the InChIKey of methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate?
The InChIKey is OLPJVMIHWINPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O6S/c1-17(9-13(18)16-6-7-22-2)24(20,21)12-8-10(14(19)23-3)4-5-11(12)15/h4-5,8H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate?
methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate has a molecular weight of 378.83 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate is sourced from PubChem (CID 30872480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).