5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide

C11H17N3O6S — CID 62156919

IUPAC5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O6S/c1-19-6-7-20-5-4-13-21(17,18)11-8-9(12)2-3-10(11)14(15)16/h2-3,8,13H,4-7,12H2,1H3
InChIKeyJUNPIPXYKLVNBZ-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.12
Rot. Bonds9

About 5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide

5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide (PubChem CID 62156919) has the molecular formula C11H17N3O6S and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide
PubChem CID62156919
Molecular FormulaC11H17N3O6S
Molecular Weight319.34 g/mol
Exact Mass319.08
IUPAC Name5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O6S/c1-19-6-7-20-5-4-13-21(17,18)11-8-9(12)2-3-10(11)14(15)16/h2-3,8,13H,4-7,12H2,1H3
InChIKeyJUNPIPXYKLVNBZ-UHFFFAOYSA-N
XLogP0.12
TPSA133.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide
CID 82847101
5-amino-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 63004393
4-amino-N-(3-ethoxypropyl)-2-nitrobenzenesulfonamide
CID 62145077
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-nitrobenzenesulfonamide
CID 62978388
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide
CID 120717656
5-amino-N-cyclopropyl-N-(2-methoxyethyl)-2-nitrobenzenesulfonamide
CID 62156814
4-(aminomethyl)-2-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051244
N-(2-methoxyethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 5189780
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2-nitroaniline
CID 79034025
N-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-nitrobenzenesulfonamide
CID 62498938
2-hydroxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81241088

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide?
The IUPAC name of 5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide (CID 62156919) is 5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide?
The canonical SMILES for 5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide is COCCOCCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide?
The InChIKey is JUNPIPXYKLVNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6S/c1-19-6-7-20-5-4-13-21(17,18)11-8-9(12)2-3-10(11)14(15)16/h2-3,8,13H,4-7,12H2,1H3.
What are the key properties of 5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide?
5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide has a molecular weight of 319.34 g/mol, XLogP of 0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide is sourced from PubChem (CID 62156919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).