methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate

C16H15ClN2O6S — CID 8506214

IUPACmethyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O6S/c1-24-16(21)11-6-2-5-9-14(11)26(22,23)19-18-15(20)10-25-13-8-4-3-7-12(13)17/h2-9,19H,10H2,1H3,(H,18,20)
InChIKeyMIBCZRPKTWPDSU-UHFFFAOYSA-N
MW398.82 g/mol
LogP1.52
Rot. Bonds7

About methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate

methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate (PubChem CID 8506214) has the molecular formula C16H15ClN2O6S and a molecular weight of 398.82 g/mol. Its IUPAC name is methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate
PubChem CID8506214
Molecular FormulaC16H15ClN2O6S
Molecular Weight398.82 g/mol
Exact Mass398.03
IUPAC Namemethyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O6S/c1-24-16(21)11-6-2-5-9-14(11)26(22,23)19-18-15(20)10-25-13-8-4-3-7-12(13)17/h2-9,19H,10H2,1H3,(H,18,20)
InChIKeyMIBCZRPKTWPDSU-UHFFFAOYSA-N
XLogP1.52
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]sulfamoyl]benzoate
CID 8614766
methyl 2-[(propanoylamino)sulfamoyl]benzoate
CID 8505481
methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate
CID 8523828
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
N-(2-acetylphenyl)-2-(2-chlorophenoxy)acetamide
CID 2707164
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
(3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide
CID 7978293
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 7601129
methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
CID 2972854
methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate
CID 8615357
methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
CID 43404773

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate?
The IUPAC name of methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate (CID 8506214) is methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NNC(=O)COc1ccccc1Cl.
What is the InChIKey of methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate?
The InChIKey is MIBCZRPKTWPDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O6S/c1-24-16(21)11-6-2-5-9-14(11)26(22,23)19-18-15(20)10-25-13-8-4-3-7-12(13)17/h2-9,19H,10H2,1H3,(H,18,20).
What are the key properties of methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate?
methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate has a molecular weight of 398.82 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(2-chlorophenoxy)acetyl]amino]sulfamoyl]benzoate is sourced from PubChem (CID 8506214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).