methyl 2-[(4-methylphenyl)sulfonylamino]acetate

C10H13NO4S — CID 562880

IUPACmethyl 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO4S/c1-8-3-5-9(6-4-8)16(13,14)11-7-10(12)15-2/h3-6,11H,7H2,1-2H3
InChIKeyGYQBPYXMRNEAKZ-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.45
Rot. Bonds4

About methyl 2-[(4-methylphenyl)sulfonylamino]acetate

methyl 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 562880) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is methyl 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID562880
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namemethyl 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO4S/c1-8-3-5-9(6-4-8)16(13,14)11-7-10(12)15-2/h3-6,11H,7H2,1-2H3
InChIKeyGYQBPYXMRNEAKZ-UHFFFAOYSA-N
XLogP0.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(4-methylphenyl)sulfonylamino]acetate (CID 562880) is methyl 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(4-methylphenyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is GYQBPYXMRNEAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-8-3-5-9(6-4-8)16(13,14)11-7-10(12)15-2/h3-6,11H,7H2,1-2H3.
What are the key properties of methyl 2-[(4-methylphenyl)sulfonylamino]acetate?
methyl 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 243.28 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 562880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).