N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide

C15H16N2O6S — CID 90518275

IUPACN-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1NS(=O)(=O)CCOc1ccccc1
InChIInChI=1S/C15H16N2O6S/c1-22-15-11-12(17(18)19)7-8-14(15)16-24(20,21)10-9-23-13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3
InChIKeyZHVUCHMIXHAHSH-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.42
Rot. Bonds8

About N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide

N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide (PubChem CID 90518275) has the molecular formula C15H16N2O6S and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide
PubChem CID90518275
Molecular FormulaC15H16N2O6S
Molecular Weight352.37 g/mol
Exact Mass352.07
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1NS(=O)(=O)CCOc1ccccc1
InChIInChI=1S/C15H16N2O6S/c1-22-15-11-12(17(18)19)7-8-14(15)16-24(20,21)10-9-23-13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3
InChIKeyZHVUCHMIXHAHSH-UHFFFAOYSA-N
XLogP2.42
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
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 N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide 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

3-[(2-methoxy-4-nitrophenyl)sulfamoyl]propanoic acid
CID 43361824
2-phenoxyethyl N-(2-methoxy-4-nitrophenyl)carbamate
CID 4276439
N-(2-cyano-4-nitrophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518616
N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide
CID 91441095
[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139860
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
2-phenoxy-N-(2-phenoxyphenyl)ethanesulfonamide
CID 90518283
2-(2-methoxyethylsulfonylamino)-5-nitrobenzoic acid
CID 63110697
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 4151536
potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
CID 23696305
N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide
CID 113247071

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide (CID 90518275) is N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide is COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)CCOc1ccccc1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide?
The InChIKey is ZHVUCHMIXHAHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S/c1-22-15-11-12(17(18)19)7-8-14(15)16-24(20,21)10-9-23-13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3.
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide?
N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide has a molecular weight of 352.37 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide is sourced from PubChem (CID 90518275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).