methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate

C17H17ClN2O6S — CID 8614766

IUPACmethyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C17H17ClN2O6S/c1-11-9-12(18)7-8-14(11)26-10-16(21)19-20-27(23,24)15-6-4-3-5-13(15)17(22)25-2/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyAAMVYRRLFYRLKU-UHFFFAOYSA-N
MW412.85 g/mol
LogP1.82
Rot. Bonds7

About methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate

methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate (PubChem CID 8614766) has the molecular formula C17H17ClN2O6S and a molecular weight of 412.85 g/mol. Its IUPAC name is methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate
PubChem CID8614766
Molecular FormulaC17H17ClN2O6S
Molecular Weight412.85 g/mol
Exact Mass412.05
IUPAC Namemethyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C17H17ClN2O6S/c1-11-9-12(18)7-8-14(11)26-10-16(21)19-20-27(23,24)15-6-4-3-5-13(15)17(22)25-2/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyAAMVYRRLFYRLKU-UHFFFAOYSA-N
XLogP1.82
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate with MolForge

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Related Compounds

methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate
CID 8506214
methyl 2-[(propanoylamino)sulfamoyl]benzoate
CID 8505481
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9218105
N'-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylphenoxy)acetohydrazide
CID 8515456
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
N-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]carbamothioyl]-2-methoxybenzamide
CID 4980742
2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 14870431
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
methyl 5-chloro-2-[2-(2-methylphenoxy)acetyl]oxybenzoate
CID 40597884

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate?
The IUPAC name of methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate (CID 8614766) is methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NNC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate?
The InChIKey is AAMVYRRLFYRLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O6S/c1-11-9-12(18)7-8-14(11)26-10-16(21)19-20-27(23,24)15-6-4-3-5-13(15)17(22)25-2/h3-9,20H,10H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate?
methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate has a molecular weight of 412.85 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate is sourced from PubChem (CID 8614766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).