2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide

C14H14N2O6S — CID 16756875

IUPAC2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide
SMILESCCOc1ccc(Oc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1
InChIInChI=1S/C14H14N2O6S/c1-2-21-11-4-6-12(7-5-11)22-13-8-3-10(16(17)18)9-14(13)23(15,19)20/h3-9H,2H2,1H3,(H2,15,19,20)
InChIKeyFYFCHZAWHDREHZ-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide

2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide (PubChem CID 16756875) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide
PubChem CID16756875
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide
SMILESCCOc1ccc(Oc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1
InChIInChI=1S/C14H14N2O6S/c1-2-21-11-4-6-12(7-5-11)22-13-8-3-10(16(17)18)9-14(13)23(15,19)20/h3-9H,2H2,1H3,(H2,15,19,20)
InChIKeyFYFCHZAWHDREHZ-UHFFFAOYSA-N
XLogP2.43
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.43
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-(4-ethoxyphenoxy)-5-nitroaniline
CID 62506652
2-(2-methylpropoxy)-5-nitrobenzenesulfonamide
CID 43164364
2-(2-methylsulfonylethoxy)-5-nitrobenzenesulfonamide
CID 61058675
2-(3-methylbutoxy)-5-nitrobenzenesulfonamide
CID 43342318
5-nitro-2-prop-2-ynoxybenzenesulfonamide
CID 82921555
2-(2-bromophenoxy)-5-nitrobenzenesulfonamide
CID 16757272
2-(4-methylpentoxy)-5-nitrobenzenesulfonamide
CID 83157782
2-(2-chlorophenoxy)-5-nitrobenzenesulfonamide
CID 16757271
2-(2-chloro-5-methylphenoxy)-5-nitrobenzenesulfonamide
CID 4851626
2,4-dinitro-1-(4-propoxyphenoxy)benzene
CID 9111018
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
2-ethoxy-5-phenoxybenzenesulfonamide
CID 155234436

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide (CID 16756875) is 2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide is CCOc1ccc(Oc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide?
The InChIKey is FYFCHZAWHDREHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-2-21-11-4-6-12(7-5-11)22-13-8-3-10(16(17)18)9-14(13)23(15,19)20/h3-9H,2H2,1H3,(H2,15,19,20).
What are the key properties of 2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide?
2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide has a molecular weight of 338.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 16756875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).