ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate

C11H16N2O4S — CID 54952571

IUPACethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1cccc(N)c1C
InChIInChI=1S/C11H16N2O4S/c1-3-17-11(14)7-18(15,16)13-10-6-4-5-9(12)8(10)2/h4-6,13H,3,7,12H2,1-2H3
InChIKeyRWEHBHHVWRPFHD-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.88
Rot. Bonds5

About ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate

ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate (PubChem CID 54952571) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate
PubChem CID54952571
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nameethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1cccc(N)c1C
InChIInChI=1S/C11H16N2O4S/c1-3-17-11(14)7-18(15,16)13-10-6-4-5-9(12)8(10)2/h4-6,13H,3,7,12H2,1-2H3
InChIKeyRWEHBHHVWRPFHD-UHFFFAOYSA-N
XLogP0.88
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211
ethyl 2-[(2-amino-6-chlorophenyl)sulfamoyl]acetate
CID 62084091
methyl 2-[(2-aminophenyl)sulfamoyl]acetate
CID 14002853
ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate
CID 61457351
ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 61456632
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
ethyl 2-[[2-amino-4-(trifluoromethyl)phenyl]sulfamoyl]acetate
CID 61457117
3-[2-[(2-ethoxy-2-oxoethyl)sulfonylamino]phenyl]propanoic acid
CID 107272611
ethyl 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfamoyl]acetate
CID 61457466
ethyl 2-[(3-amino-4-bromophenyl)sulfamoyl]acetate
CID 79767666

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate (CID 54952571) is ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1cccc(N)c1C.
What is the InChIKey of ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate?
The InChIKey is RWEHBHHVWRPFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-17-11(14)7-18(15,16)13-10-6-4-5-9(12)8(10)2/h4-6,13H,3,7,12H2,1-2H3.
What are the key properties of ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate?
ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate has a molecular weight of 272.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate is sourced from PubChem (CID 54952571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).