ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate

C16H16N2O6S — CID 100524720

IUPACethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O6S/c1-2-24-16(19)12-17(13-6-4-3-5-7-13)25(22,23)15-10-8-14(9-11-15)18(20)21/h3-11H,2,12H2,1H3
InChIKeyAXEZYQLFUKRSLX-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.35
Rot. Bonds7

About ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate

ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate (PubChem CID 100524720) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate
PubChem CID100524720
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Nameethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O6S/c1-2-24-16(19)12-17(13-6-4-3-5-7-13)25(22,23)15-10-8-14(9-11-15)18(20)21/h3-11H,2,12H2,1H3
InChIKeyAXEZYQLFUKRSLX-UHFFFAOYSA-N
XLogP2.35
TPSA106.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)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

ethyl 2-(2,4,6-trimethyl-N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100528396
ethyl 2-(N-naphthalen-2-ylsulfonyl-3-nitroanilino)acetate
CID 100533956
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
ethyl 2-(N-(3-nitrophenyl)sulfonyl-4-propan-2-ylanilino)acetate
CID 50895844
ethyl 2-[4-(cyanomethyl)-N-(3-nitrophenyl)sulfonylanilino]acetate
CID 100522436
ethyl 2-(2-methoxy-5-methyl-N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100527321
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 92676605
ethyl 3-[(2-ethoxy-2-oxoethyl)-(4-nitrophenyl)sulfonylamino]-4-methylbenzoate
CID 100529557
N-(2-hydrazinyl-2-oxoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 91671587
ethyl 2-(2-methyl-5-nitro-N-(3-nitrophenyl)sulfonylanilino)acetate
CID 100523249
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
ethyl 2-(N-sulfamoylanilino)acetate
CID 67139831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate?
The IUPAC name of ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate (CID 100524720) is ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate is CCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate?
The InChIKey is AXEZYQLFUKRSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-2-24-16(19)12-17(13-6-4-3-5-7-13)25(22,23)15-10-8-14(9-11-15)18(20)21/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate?
ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate has a molecular weight of 364.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate is sourced from PubChem (CID 100524720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).