(2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate

C16H16ClNO5S — CID 110671021

IUPAC(2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate
SMILESCOc1ccccc1OC(=O)CNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO5S/c1-22-14-4-2-3-5-15(14)23-16(19)10-18-24(20,21)11-12-6-8-13(17)9-7-12/h2-9,18H,10-11H2,1H3
InChIKeyLBKXEOZHUSVKIP-UHFFFAOYSA-N
MW369.83 g/mol
LogP2.37
Rot. Bonds7

About (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate

(2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate (PubChem CID 110671021) has the molecular formula C16H16ClNO5S and a molecular weight of 369.83 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate
PubChem CID110671021
Molecular FormulaC16H16ClNO5S
Molecular Weight369.83 g/mol
Exact Mass369.04
IUPAC Name(2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate
SMILESCOc1ccccc1OC(=O)CNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO5S/c1-22-14-4-2-3-5-15(14)23-16(19)10-18-24(20,21)11-12-6-8-13(17)9-7-12/h2-9,18H,10-11H2,1H3
InChIKeyLBKXEOZHUSVKIP-UHFFFAOYSA-N
XLogP2.37
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110671034
(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 110670993
2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21156472
2-[(4-chlorophenyl)methylsulfonylamino]-N-phenylacetamide
CID 51711268
(4-propan-2-ylphenyl) 2-[(4-fluorophenyl)methylsulfonylamino]acetate
CID 110671082
(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate
CID 110670998
(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
CID 110670984
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylsulfonylamino]acetamide
CID 110285326
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide
CID 30380870
2-(4-chlorophenyl)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4936798
2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 18891430
(2-methoxyphenyl) 2-methoxyacetate
CID 53423767

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate?
The IUPAC name of (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate (CID 110671021) is (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate?
The canonical SMILES for (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate is COc1ccccc1OC(=O)CNS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate?
The InChIKey is LBKXEOZHUSVKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S/c1-22-14-4-2-3-5-15(14)23-16(19)10-18-24(20,21)11-12-6-8-13(17)9-7-12/h2-9,18H,10-11H2,1H3.
What are the key properties of (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate?
(2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate has a molecular weight of 369.83 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate is sourced from PubChem (CID 110671021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).