methyl 2-[(3-formylphenyl)sulfamoyl]acetate

C10H11NO5S — CID 106913056

IUPACmethyl 2-[(3-formylphenyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C10H11NO5S/c1-16-10(13)7-17(14,15)11-9-4-2-3-8(5-9)6-12/h2-6,11H,7H2,1H3
InChIKeyADVXAJVJSUZTHE-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.41
Rot. Bonds5

About methyl 2-[(3-formylphenyl)sulfamoyl]acetate

methyl 2-[(3-formylphenyl)sulfamoyl]acetate (PubChem CID 106913056) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is methyl 2-[(3-formylphenyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-formylphenyl)sulfamoyl]acetate
PubChem CID106913056
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC Namemethyl 2-[(3-formylphenyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C10H11NO5S/c1-16-10(13)7-17(14,15)11-9-4-2-3-8(5-9)6-12/h2-6,11H,7H2,1H3
InChIKeyADVXAJVJSUZTHE-UHFFFAOYSA-N
XLogP0.41
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(3-formylphenyl)sulfamoyl]butanoate
CID 106913005
methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate
CID 55124931
3-[3-[(2-ethoxy-2-oxoethyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 76906569
N-(3-formylphenyl)butane-1-sulfonamide
CID 87474452
methyl 2-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfamoyl]acetate
CID 61456773
methyl 3-[(3-sulfamoylphenyl)sulfamoyl]propanoate
CID 60675335
2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361772
2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61359529
methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate
CID 103480162
methyl 4-[(3-sulfamoylphenyl)sulfamoyl]butanoate
CID 61457458
3-(2-methoxyethylamino)benzaldehyde
CID 88893508
(E)-3-[3-(propylsulfonylamino)phenyl]prop-2-enoic acid
CID 78971626

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-formylphenyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[(3-formylphenyl)sulfamoyl]acetate (CID 106913056) is methyl 2-[(3-formylphenyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(3-formylphenyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[(3-formylphenyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)Nc1cccc(C=O)c1.
What is the InChIKey of methyl 2-[(3-formylphenyl)sulfamoyl]acetate?
The InChIKey is ADVXAJVJSUZTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S/c1-16-10(13)7-17(14,15)11-9-4-2-3-8(5-9)6-12/h2-6,11H,7H2,1H3.
What are the key properties of methyl 2-[(3-formylphenyl)sulfamoyl]acetate?
methyl 2-[(3-formylphenyl)sulfamoyl]acetate has a molecular weight of 257.27 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-formylphenyl)sulfamoyl]acetate is sourced from PubChem (CID 106913056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).