methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate

C11H15NO5S — CID 43476805

IUPACmethyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C)CO)cc1
InChIInChI=1S/C11H15NO5S/c1-8(7-13)12-18(15,16)10-5-3-9(4-6-10)11(14)17-2/h3-6,8,12-13H,7H2,1-2H3
InChIKeyHDGHONDVMKVFMX-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.13
Rot. Bonds5

About methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate

methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate (PubChem CID 43476805) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate
PubChem CID43476805
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C)CO)cc1
InChIInChI=1S/C11H15NO5S/c1-8(7-13)12-18(15,16)10-5-3-9(4-6-10)11(14)17-2/h3-6,8,12-13H,7H2,1-2H3
InChIKeyHDGHONDVMKVFMX-UHFFFAOYSA-N
XLogP0.13
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60681168
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methyl 3-amino-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoate
CID 93081321
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
methyl 4-(dicyclopropylmethylsulfamoyl)benzoate
CID 31847332
2-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 119142039
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 39086808
methyl 4-(2-methylpropoxysulfamoyl)benzoate
CID 82715916
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
CID 78857241
methyl 4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]benzoate
CID 115302902

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate?
The IUPAC name of methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate (CID 43476805) is methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate is COC(=O)c1ccc(S(=O)(=O)NC(C)CO)cc1.
What is the InChIKey of methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate?
The InChIKey is HDGHONDVMKVFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8(7-13)12-18(15,16)10-5-3-9(4-6-10)11(14)17-2/h3-6,8,12-13H,7H2,1-2H3.
What are the key properties of methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate?
methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate has a molecular weight of 273.31 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 43476805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).