4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide

C14H14N2O6S — CID 32706977

IUPAC4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCOc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H14N2O6S/c15-23(19,20)14-6-4-12(5-7-14)21-8-9-22-13-3-1-2-11(10-13)16(17)18/h1-7,10H,8-9H2,(H2,15,19,20)
InChIKeyNJIBBKKONXJYQE-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.70
Rot. Bonds7

About 4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide

4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide (PubChem CID 32706977) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide
PubChem CID32706977
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCOc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H14N2O6S/c15-23(19,20)14-6-4-12(5-7-14)21-8-9-22-13-3-1-2-11(10-13)16(17)18/h1-7,10H,8-9H2,(H2,15,19,20)
InChIKeyNJIBBKKONXJYQE-UHFFFAOYSA-N
XLogP1.70
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.70
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'}

Analyze 4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
4-[2-(3-nitrophenoxy)ethoxy]benzonitrile
CID 27015053
4-[2-(3-nitrophenoxy)ethoxy]benzoic acid
CID 20991529
bis(1-nitro-3-[(3-nitrophenoxy)methoxy]benzene);dihydrochloride
CID 173396711
(3-nitrophenyl) 4-ethoxybenzenesulfonate
CID 51169952
1-nitro-3-octoxybenzene
CID 3442932
2-chloro-4-nitro-1-[2-(3-nitrophenoxy)ethoxy]benzene
CID 52617910
3-[4-(3-nitrophenoxy)butoxy]benzonitrile
CID 125468946
2,2-dimethyl-3-(3-nitrophenoxy)propane-1-sulfonamide
CID 64999478
4-nitro-2-[(3-nitrophenoxy)methyl]aniline
CID 62195790
4-(3-nitrophenoxy)butan-2-one
CID 60693072
1-nitro-3-pent-4-enoxybenzene
CID 11183362

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide (CID 32706977) is 4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCCOc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide?
The InChIKey is NJIBBKKONXJYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c15-23(19,20)14-6-4-12(5-7-14)21-8-9-22-13-3-1-2-11(10-13)16(17)18/h1-7,10H,8-9H2,(H2,15,19,20).
What are the key properties of 4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide?
4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide has a molecular weight of 338.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-nitrophenoxy)ethoxy]benzenesulfonamide is sourced from PubChem (CID 32706977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).