2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide

C9H12N2O6S — CID 102703756

IUPAC2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide
SMILESCOc1ccc([N+](=O)[O-])c(OCCS(N)(=O)=O)c1
InChIInChI=1S/C9H12N2O6S/c1-16-7-2-3-8(11(12)13)9(6-7)17-4-5-18(10,14)15/h2-3,6H,4-5H2,1H3,(H2,10,14,15)
InChIKeyZJLITELPIVTIKP-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.27
Rot. Bonds6

About 2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide

2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide (PubChem CID 102703756) has the molecular formula C9H12N2O6S and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide.

Molecular Properties

Compound Name2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide
PubChem CID102703756
Molecular FormulaC9H12N2O6S
Molecular Weight276.27 g/mol
Exact Mass276.04
IUPAC Name2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide
SMILESCOc1ccc([N+](=O)[O-])c(OCCS(N)(=O)=O)c1
InChIInChI=1S/C9H12N2O6S/c1-16-7-2-3-8(11(12)13)9(6-7)17-4-5-18(10,14)15/h2-3,6H,4-5H2,1H3,(H2,10,14,15)
InChIKeyZJLITELPIVTIKP-UHFFFAOYSA-N
XLogP0.27
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.27
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'}

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Related Compounds

2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene
CID 102702616
2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
CID 104708667
3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102702530
4-(5-methoxy-2-nitrophenoxy)butanoic acid
CID 102702553
4-(5-methoxy-2-nitrophenoxy)butanehydrazide
CID 102703730
2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide
CID 103202309
ethane;4-methoxy-1-nitro-2-prop-2-enoxybenzene
CID 143133344
4-methoxy-1-nitro-2-prop-2-ynoxybenzene
CID 102703166
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene
CID 140975291
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
CID 118410599
[3-(2-ethylsulfonylethoxy)-4-nitrophenyl]methanamine
CID 62116720

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide?
The IUPAC name of 2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide (CID 102703756) is 2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide.
What is the SMILES notation for 2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide?
The canonical SMILES for 2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide is COc1ccc([N+](=O)[O-])c(OCCS(N)(=O)=O)c1.
What is the InChIKey of 2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide?
The InChIKey is ZJLITELPIVTIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6S/c1-16-7-2-3-8(11(12)13)9(6-7)17-4-5-18(10,14)15/h2-3,6H,4-5H2,1H3,(H2,10,14,15).
What are the key properties of 2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide?
2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide has a molecular weight of 276.27 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide is sourced from PubChem (CID 102703756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).