[(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate

C17H16ClNO6S — CID 8644902

IUPAC[(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate
SMILESCOC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO6S/c1-11(16(20)24-2)25-17(21)12-7-9-13(10-8-12)26(22,23)19-15-6-4-3-5-14(15)18/h3-11,19H,1-2H3/t11-/m1/s1
InChIKeyGEYCPQGQNMGOBX-LLVKDONJSA-N
MW397.84 g/mol
LogP2.86
Rot. Bonds6

About [(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate

[(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate (PubChem CID 8644902) has the molecular formula C17H16ClNO6S and a molecular weight of 397.84 g/mol. Its IUPAC name is [(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate
PubChem CID8644902
Molecular FormulaC17H16ClNO6S
Molecular Weight397.84 g/mol
Exact Mass397.04
IUPAC Name[(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate
SMILESCOC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO6S/c1-11(16(20)24-2)25-17(21)12-7-9-13(10-8-12)26(22,23)19-15-6-4-3-5-14(15)18/h3-11,19H,1-2H3/t11-/m1/s1
InChIKeyGEYCPQGQNMGOBX-LLVKDONJSA-N
XLogP2.86
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate
CID 4987416
[(2S)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 27010048
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 27010046
[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7985225
4-[(2-chlorophenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 55346393
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate
CID 24510134
(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42900642
4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120650528
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate
CID 27343027
[(2S)-1-methoxy-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 8644524
N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773415

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate?
The IUPAC name of [(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate (CID 8644902) is [(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for [(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for [(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate is COC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of [(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate?
The InChIKey is GEYCPQGQNMGOBX-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16ClNO6S/c1-11(16(20)24-2)25-17(21)12-7-9-13(10-8-12)26(22,23)19-15-6-4-3-5-14(15)18/h3-11,19H,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate?
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate has a molecular weight of 397.84 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methoxy-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 8644902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).