methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate

C12H15NO7S — CID 43624280

IUPACmethyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(CO)C(=O)OC)cc1
InChIInChI=1S/C12H15NO7S/c1-19-11(15)8-3-5-9(6-4-8)21(17,18)13-10(7-14)12(16)20-2/h3-6,10,13-14H,7H2,1-2H3
InChIKeyCDYIMOHUGSPVAZ-UHFFFAOYSA-N
MW317.32 g/mol
LogP-0.71
Rot. Bonds6

About methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate

methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate (PubChem CID 43624280) has the molecular formula C12H15NO7S and a molecular weight of 317.32 g/mol. Its IUPAC name is methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate
PubChem CID43624280
Molecular FormulaC12H15NO7S
Molecular Weight317.32 g/mol
Exact Mass317.06
IUPAC Namemethyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(CO)C(=O)OC)cc1
InChIInChI=1S/C12H15NO7S/c1-19-11(15)8-3-5-9(6-4-8)21(17,18)13-10(7-14)12(16)20-2/h3-6,10,13-14H,7H2,1-2H3
InChIKeyCDYIMOHUGSPVAZ-UHFFFAOYSA-N
XLogP-0.71
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 3776760
methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate
CID 43476805
methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate
CID 17411637
methyl 4-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]benzoate
CID 40855028
2-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 119142039
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
methyl 4-(dicyclopropylmethylsulfamoyl)benzoate
CID 31847332
tert-butyl 4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-3-methylbenzoate
CID 54114228
methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
CID 61051901
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
methyl 4-(2-methylpropoxysulfamoyl)benzoate
CID 82715916

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate (CID 43624280) is methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NC(CO)C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate?
The InChIKey is CDYIMOHUGSPVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO7S/c1-19-11(15)8-3-5-9(6-4-8)21(17,18)13-10(7-14)12(16)20-2/h3-6,10,13-14H,7H2,1-2H3.
What are the key properties of methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate?
methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate has a molecular weight of 317.32 g/mol, XLogP of -0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 43624280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).