2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide

C11H16N2O7S — CID 103202309

IUPAC2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide
SMILESCOc1ccc(OCCOCCS(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O7S/c1-18-11-3-2-9(8-10(11)13(14)15)20-5-4-19-6-7-21(12,16)17/h2-3,8H,4-7H2,1H3,(H2,12,16,17)
InChIKeyNMUZEVXMXHSKRM-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.29
Rot. Bonds9

About 2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide

2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide (PubChem CID 103202309) has the molecular formula C11H16N2O7S and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide.

Molecular Properties

Compound Name2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide
PubChem CID103202309
Molecular FormulaC11H16N2O7S
Molecular Weight320.32 g/mol
Exact Mass320.07
IUPAC Name2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide
SMILESCOc1ccc(OCCOCCS(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O7S/c1-18-11-3-2-9(8-10(11)13(14)15)20-5-4-19-6-7-21(12,16)17/h2-3,8H,4-7H2,1H3,(H2,12,16,17)
InChIKeyNMUZEVXMXHSKRM-UHFFFAOYSA-N
XLogP0.29
TPSA130.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene
CID 103201593
4-(4-methoxy-3-nitrophenoxy)butane-1-sulfonyl chloride
CID 103202297
2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide
CID 102703756
N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
CID 59427849
2-[2-(4-bromo-5-fluoro-2-nitrophenoxy)ethoxy]ethanesulfonamide
CID 103484224
4-(3,3-diethoxypropoxy)-1-methoxy-2-nitrobenzene
CID 103201867
2-[2-[2-[2-(3-methoxy-4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 170335133
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
CID 118410599
4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
tert-butyl 3-(4-methoxy-3-nitrophenoxy)propanoate
CID 103201539
1-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methyl-2-nitrobenzene
CID 2284208
4-[3-[2-[2-[2-(3-methoxy-4-nitrophenoxy)ethoxy]ethoxy]ethoxy]propyl]benzenesulfonic acid
CID 170347794

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide?
The IUPAC name of 2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide (CID 103202309) is 2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide.
What is the SMILES notation for 2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide?
The canonical SMILES for 2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide is COc1ccc(OCCOCCS(N)(=O)=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide?
The InChIKey is NMUZEVXMXHSKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O7S/c1-18-11-3-2-9(8-10(11)13(14)15)20-5-4-19-6-7-21(12,16)17/h2-3,8H,4-7H2,1H3,(H2,12,16,17).
What are the key properties of 2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide?
2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide has a molecular weight of 320.32 g/mol, XLogP of 0.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide is sourced from PubChem (CID 103202309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).