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

C9H10ClNO4S — CID 686925

IUPACmethyl 2-[(4-chlorophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO4S/c1-15-9(12)6-11-16(13,14)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeySYOQNYMPQNXLCA-UHFFFAOYSA-N
MW263.70 g/mol
LogP0.79
Rot. Bonds4

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

methyl 2-[(4-chlorophenyl)sulfonylamino]acetate (PubChem CID 686925) has the molecular formula C9H10ClNO4S and a molecular weight of 263.70 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)sulfonylamino]acetate
PubChem CID686925
Molecular FormulaC9H10ClNO4S
Molecular Weight263.70 g/mol
Exact Mass263.00
IUPAC Namemethyl 2-[(4-chlorophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO4S/c1-15-9(12)6-11-16(13,14)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeySYOQNYMPQNXLCA-UHFFFAOYSA-N
XLogP0.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(4-chlorophenyl)sulfonylamino]acetate (CID 686925) is methyl 2-[(4-chlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)sulfonylamino]acetate?
The InChIKey is SYOQNYMPQNXLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S/c1-15-9(12)6-11-16(13,14)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3.
What are the key properties of methyl 2-[(4-chlorophenyl)sulfonylamino]acetate?
methyl 2-[(4-chlorophenyl)sulfonylamino]acetate has a molecular weight of 263.70 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 686925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).