methyl 2-(benzylsulfamoyl)acetate

C10H13NO4S — CID 130159397

IUPACmethyl 2-(benzylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C10H13NO4S/c1-15-10(12)8-16(13,14)11-7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyIWDVJHVBIVTGPU-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.28
Rot. Bonds5

About methyl 2-(benzylsulfamoyl)acetate

methyl 2-(benzylsulfamoyl)acetate (PubChem CID 130159397) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is methyl 2-(benzylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(benzylsulfamoyl)acetate
PubChem CID130159397
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namemethyl 2-(benzylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C10H13NO4S/c1-15-10(12)8-16(13,14)11-7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyIWDVJHVBIVTGPU-UHFFFAOYSA-N
XLogP0.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-phenylethylsulfamoyl)acetate
CID 121221492
methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate
CID 61414007
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-phenylpropanoic acid
CID 61359341
methyl 2-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)acetate
CID 105357735
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
benzylsulfamic acid;ethane
CID 154691965
methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
CID 78991650
ethyl 2-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]acetate
CID 63311718
N-benzyl-1-bromomethanesulfonamide
CID 75373678
methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate
CID 78996186
methyl 3-[[4-(hydroxymethyl)phenyl]methylsulfamoyl]propanoate
CID 107232004
methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate
CID 55124931

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylsulfamoyl)acetate?
The IUPAC name of methyl 2-(benzylsulfamoyl)acetate (CID 130159397) is methyl 2-(benzylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(benzylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(benzylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NCc1ccccc1.
What is the InChIKey of methyl 2-(benzylsulfamoyl)acetate?
The InChIKey is IWDVJHVBIVTGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-15-10(12)8-16(13,14)11-7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of methyl 2-(benzylsulfamoyl)acetate?
methyl 2-(benzylsulfamoyl)acetate has a molecular weight of 243.28 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylsulfamoyl)acetate is sourced from PubChem (CID 130159397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).