methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate

C15H14N2O7S — CID 2961199

IUPACmethyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N2O7S/c1-23-15(18)10-24-13-7-5-11(6-8-13)16-25(21,22)14-4-2-3-12(9-14)17(19)20/h2-9,16H,10H2,1H3
InChIKeyKNGZQCIQJXVPRE-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.95
Rot. Bonds7

About methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate

methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate (PubChem CID 2961199) has the molecular formula C15H14N2O7S and a molecular weight of 366.35 g/mol. Its IUPAC name is methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate
PubChem CID2961199
Molecular FormulaC15H14N2O7S
Molecular Weight366.35 g/mol
Exact Mass366.05
IUPAC Namemethyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N2O7S/c1-23-15(18)10-24-13-7-5-11(6-8-13)16-25(21,22)14-4-2-3-12(9-14)17(19)20/h2-9,16H,10H2,1H3
InChIKeyKNGZQCIQJXVPRE-UHFFFAOYSA-N
XLogP1.95
TPSA124.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Nitro-phenoxy)-N-phenyl-benzenesulfonamide
CID 1116087
3-nitro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 2876244
N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide
CID 44531247
[2-(4-Methoxyphenoxy)ethyl][(3-nitrophenyl)sulfonyl]amine
CID 2900733
N-(4-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 750280
Ethyl [4-({[3-(methylthio)phenyl]amino}sulfonyl)phenoxy]acetate
CID 1314336
2-(4-nitrophenoxy)-N-tosylacetamide
CID 2142169
2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 2885849
Methyl (3-{[(3-nitrophenyl)sulfonyl]amino}phenoxy)acetate
CID 2961366
2-Phenoxyethyl 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetate
CID 16281646
5-amino-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3388852
N-(2-butoxyphenyl)-3-nitrobenzenesulfonamide
CID 572633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate (CID 2961199) is methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate is COC(=O)COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate?
The InChIKey is KNGZQCIQJXVPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O7S/c1-23-15(18)10-24-13-7-5-11(6-8-13)16-25(21,22)14-4-2-3-12(9-14)17(19)20/h2-9,16H,10H2,1H3.
What are the key properties of methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate?
methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate has a molecular weight of 366.35 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-nitrophenyl)sulfonylamino]phenoxy]acetate is sourced from PubChem (CID 2961199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).