methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate

C16H21NO6S — CID 71882556

IUPACmethyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(=O)COC2CCCCC2)c1
InChIInChI=1S/C16H21NO6S/c1-22-16(19)12-6-5-9-14(10-12)24(20,21)17-15(18)11-23-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyAIRQGCANLCCQSW-UHFFFAOYSA-N
MW355.41 g/mol
LogP1.63
Rot. Bonds6

About methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate

methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate (PubChem CID 71882556) has the molecular formula C16H21NO6S and a molecular weight of 355.41 g/mol. Its IUPAC name is methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate
PubChem CID71882556
Molecular FormulaC16H21NO6S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Namemethyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(=O)COC2CCCCC2)c1
InChIInChI=1S/C16H21NO6S/c1-22-16(19)12-6-5-9-14(10-12)24(20,21)17-15(18)11-23-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyAIRQGCANLCCQSW-UHFFFAOYSA-N
XLogP1.63
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate (CID 71882556) is methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)NC(=O)COC2CCCCC2)c1.
What is the InChIKey of methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate?
The InChIKey is AIRQGCANLCCQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6S/c1-22-16(19)12-6-5-9-14(10-12)24(20,21)17-15(18)11-23-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,17,18).
What are the key properties of methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate?
methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate has a molecular weight of 355.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-cyclohexyloxyacetyl)sulfamoyl]benzoate is sourced from PubChem (CID 71882556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).