3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide

C11H15FN2O6S — CID 82847101

IUPAC3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C11H15FN2O6S/c1-19-6-7-20-5-4-13-21(17,18)9-2-3-11(14(15)16)10(12)8-9/h2-3,8,13H,4-7H2,1H3
InChIKeyLVPXEUBNHFXJQQ-UHFFFAOYSA-N
MW322.31 g/mol
LogP0.68
Rot. Bonds9

About 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide

3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide (PubChem CID 82847101) has the molecular formula C11H15FN2O6S and a molecular weight of 322.31 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide
PubChem CID82847101
Molecular FormulaC11H15FN2O6S
Molecular Weight322.31 g/mol
Exact Mass322.06
IUPAC Name3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C11H15FN2O6S/c1-19-6-7-20-5-4-13-21(17,18)9-2-3-11(14(15)16)10(12)8-9/h2-3,8,13H,4-7H2,1H3
InChIKeyLVPXEUBNHFXJQQ-UHFFFAOYSA-N
XLogP0.68
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 50.68
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 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide 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

5-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzenesulfonamide
CID 62156919
N-(2-bromoethyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82854741
3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 63239187
N-(2-methoxyethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 5189780
3-fluoro-N-(3-hydroxybutyl)-4-nitrobenzenesulfonamide
CID 82854209
3-fluoro-N-(5-methylhexyl)-4-nitrobenzenesulfonamide
CID 82847480
3-[(3-fluoro-4-nitrophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108278
N-(2-cyclopropylethyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82854586
N-(2-bromoprop-2-enyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 113465012
3-[(3-fluoro-4-nitrophenyl)sulfonylamino]-2-methylpropanoic acid
CID 82844659
2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide
CID 82840554
N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide
CID 82839125

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide (CID 82847101) is 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide is COCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide?
The InChIKey is LVPXEUBNHFXJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O6S/c1-19-6-7-20-5-4-13-21(17,18)9-2-3-11(14(15)16)10(12)8-9/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide?
3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide has a molecular weight of 322.31 g/mol, XLogP of 0.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 82847101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).