2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide

C11H16FN3O3S — CID 82685131

IUPAC2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1NS(=O)(=O)CCOCC
InChIInChI=1S/C11H16FN3O3S/c1-2-18-5-6-19(16,17)15-10-4-3-8(12)7-9(10)11(13)14/h3-4,7,15H,2,5-6H2,1H3,(H3,13,14)
InChIKeyFAHGCEDYSMBTJQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.89
Rot. Bonds7

About 2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide

2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide (PubChem CID 82685131) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide
PubChem CID82685131
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1NS(=O)(=O)CCOCC
InChIInChI=1S/C11H16FN3O3S/c1-2-18-5-6-19(16,17)15-10-4-3-8(12)7-9(10)11(13)14/h3-4,7,15H,2,5-6H2,1H3,(H3,13,14)
InChIKeyFAHGCEDYSMBTJQ-UHFFFAOYSA-N
XLogP0.89
TPSA105.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide
CID 82016327
5-fluoro-2-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide
CID 82015535
5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide
CID 63669341
1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea
CID 82685806
2-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 81056626
5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid
CID 55174298
5-fluoro-2-(2-methylsulfonylethylsulfonylamino)benzenecarbothioamide
CID 82016244
1-butyl-3-(2-carbamimidoyl-4-fluorophenyl)urea
CID 82684483
N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
CID 63245490
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 55173913
2-(butoxymethyl)-5-fluorobenzenecarboximidamide
CID 63291033
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide
CID 76988854

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide (CID 82685131) is 2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1NS(=O)(=O)CCOCC.
What is the InChIKey of 2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide?
The InChIKey is FAHGCEDYSMBTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-2-18-5-6-19(16,17)15-10-4-3-8(12)7-9(10)11(13)14/h3-4,7,15H,2,5-6H2,1H3,(H3,13,14).
What are the key properties of 2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide?
2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide has a molecular weight of 289.33 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 82685131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).