methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate

C17H17NO6S — CID 67310883

IUPACmethyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NS(=O)(=O)c2ccccc2OC(C)=O)c1
InChIInChI=1S/C17H17NO6S/c1-12(19)24-15-8-3-4-9-16(15)25(21,22)18-14-7-5-6-13(10-14)11-17(20)23-2/h3-10,18H,11H2,1-2H3
InChIKeyLGYXNXPSYLRMEX-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.13
Rot. Bonds6

About methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate

methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate (PubChem CID 67310883) has the molecular formula C17H17NO6S and a molecular weight of 363.39 g/mol. Its IUPAC name is methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate
PubChem CID67310883
Molecular FormulaC17H17NO6S
Molecular Weight363.39 g/mol
Exact Mass363.08
IUPAC Namemethyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NS(=O)(=O)c2ccccc2OC(C)=O)c1
InChIInChI=1S/C17H17NO6S/c1-12(19)24-15-8-3-4-9-16(15)25(21,22)18-14-7-5-6-13(10-14)11-17(20)23-2/h3-10,18H,11H2,1-2H3
InChIKeyLGYXNXPSYLRMEX-UHFFFAOYSA-N
XLogP2.13
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229
2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid
CID 23061993
methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
CID 586458
N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17404307
methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate
CID 54091562
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010
methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 55603773
N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide
CID 47141612
N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 38944467
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853
CID 172801156
CID 172801156
2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid
CID 70066284

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate (CID 67310883) is methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate is COC(=O)Cc1cccc(NS(=O)(=O)c2ccccc2OC(C)=O)c1.
What is the InChIKey of methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate?
The InChIKey is LGYXNXPSYLRMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6S/c1-12(19)24-15-8-3-4-9-16(15)25(21,22)18-14-7-5-6-13(10-14)11-17(20)23-2/h3-10,18H,11H2,1-2H3.
What are the key properties of methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate?
methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate has a molecular weight of 363.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate is sourced from PubChem (CID 67310883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).