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

C13H20N2O6S — CID 110632857

IUPAC2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H20N2O6S/c1-20-8-9-21-10-11-22(18,19)14-7-6-12-2-4-13(5-3-12)15(16)17/h2-5,14H,6-11H2,1H3
InChIKeyPIVWXWKVPDDCQE-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.72
Rot. Bonds11

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

2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide (PubChem CID 110632857) has the molecular formula C13H20N2O6S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide
PubChem CID110632857
Molecular FormulaC13H20N2O6S
Molecular Weight332.38 g/mol
Exact Mass332.10
IUPAC Name2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H20N2O6S/c1-20-8-9-21-10-11-22(18,19)14-7-6-12-2-4-13(5-3-12)15(16)17/h2-5,14H,6-11H2,1H3
InChIKeyPIVWXWKVPDDCQE-UHFFFAOYSA-N
XLogP0.72
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide
CID 110311225
N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110411117
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene
CID 174264665
N-[2-(4-aminophenyl)ethyl]-3-methoxypropane-1-sulfonamide
CID 63290076
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
2-amino-3-methoxy-N-[2-(4-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120987128
methyl 2-[2-(4-nitrophenyl)ethylamino]acetate
CID 43519885
N-[2-[2-(4-nitrophenyl)ethylamino]ethyl]methanesulfonamide
CID 43545958
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide (CID 110632857) is 2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide is COCCOCCS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide?
The InChIKey is PIVWXWKVPDDCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6S/c1-20-8-9-21-10-11-22(18,19)14-7-6-12-2-4-13(5-3-12)15(16)17/h2-5,14H,6-11H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide?
2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 0.72, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110632857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).