3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride

C11H17ClFN3O5S — CID 120717735

IUPAC3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-].Cl
InChIInChI=1S/C11H16FN3O5S.ClH/c1-20-8-7-13-5-6-14-21(18,19)10-4-2-3-9(12)11(10)15(16)17;/h2-4,13-14H,5-8H2,1H3;1H
InChIKeyLUKRPOZFUGPNPQ-UHFFFAOYSA-N
MW357.79 g/mol
LogP0.67
Rot. Bonds9

About 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride

3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride (PubChem CID 120717735) has the molecular formula C11H17ClFN3O5S and a molecular weight of 357.79 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
PubChem CID120717735
Molecular FormulaC11H17ClFN3O5S
Molecular Weight357.79 g/mol
Exact Mass357.06
IUPAC Name3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-].Cl
InChIInChI=1S/C11H16FN3O5S.ClH/c1-20-8-7-13-5-6-14-21(18,19)10-4-2-3-9(12)11(10)15(16)17;/h2-4,13-14H,5-8H2,1H3;1H
InChIKeyLUKRPOZFUGPNPQ-UHFFFAOYSA-N
XLogP0.67
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 50.67
H-Bond Donors ≤ 52
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-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride 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

N-(3,3-dimethylbutyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 47331562
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717314
3-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-nitrobenzenesulfonamide
CID 115992208
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide
CID 120717656
N-[2-(2-methoxyethylamino)ethyl]-4,5-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
CID 120717643
N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120717757
3-amino-N-(3-methoxypropyl)-2-nitrobenzenesulfonamide
CID 112675302
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320
N-(2-cyclopropylethyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 112695020
3-fluoro-2-nitro-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 115663345
2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 62058435
3-fluoro-N-(2-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 112702783

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride (CID 120717735) is 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-].Cl.
What is the InChIKey of 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is LUKRPOZFUGPNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O5S.ClH/c1-20-8-7-13-5-6-14-21(18,19)10-4-2-3-9(12)11(10)15(16)17;/h2-4,13-14H,5-8H2,1H3;1H.
What are the key properties of 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride?
3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 357.79 g/mol, XLogP of 0.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).