2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide

C11H16N2O5S — CID 110311225

IUPAC2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O5S/c1-18-8-9-19(16,17)12-7-6-10-2-4-11(5-3-10)13(14)15/h2-5,12H,6-9H2,1H3
InChIKeyAMTYRZWQZRYTQD-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.70
Rot. Bonds8

About 2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide

2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide (PubChem CID 110311225) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide
PubChem CID110311225
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O5S/c1-18-8-9-19(16,17)12-7-6-10-2-4-11(5-3-10)13(14)15/h2-5,12H,6-9H2,1H3
InChIKeyAMTYRZWQZRYTQD-UHFFFAOYSA-N
XLogP0.70
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide
CID 110632857
N-[2-(4-aminophenyl)ethyl]-3-methoxypropane-1-sulfonamide
CID 63290076
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
N-[2-[2-(4-nitrophenyl)ethylamino]ethyl]methanesulfonamide
CID 43545958
4-[2-(3-methoxypropylsulfonylamino)ethyl]benzoic acid
CID 63290444
1-(2-ethylsulfonylethyl)-4-nitrobenzene
CID 147385511
1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine
CID 115627630
2-(4-nitrophenyl)ethyl methanesulfonate
CID 12942079
2-[(4-nitrophenyl)methylsulfonylamino]ethanesulfonamide
CID 61132756
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide
CID 113247071

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide (CID 110311225) is 2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide is COCCS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide?
The InChIKey is AMTYRZWQZRYTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-18-8-9-19(16,17)12-7-6-10-2-4-11(5-3-10)13(14)15/h2-5,12H,6-9H2,1H3.
What are the key properties of 2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide?
2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide has a molecular weight of 288.32 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110311225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).