2-cyano-N-ethoxy-3-fluorobenzenesulfonamide

C9H9FN2O3S — CID 64973743

IUPAC2-cyano-N-ethoxy-3-fluorobenzenesulfonamide
SMILESCCONS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C9H9FN2O3S/c1-2-15-12-16(13,14)9-5-3-4-8(10)7(9)6-11/h3-5,12H,2H2,1H3
InChIKeyZTRJYLCGFMCMFP-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.93
Rot. Bonds4

About 2-cyano-N-ethoxy-3-fluorobenzenesulfonamide

2-cyano-N-ethoxy-3-fluorobenzenesulfonamide (PubChem CID 64973743) has the molecular formula C9H9FN2O3S and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-cyano-N-ethoxy-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-ethoxy-3-fluorobenzenesulfonamide
PubChem CID64973743
Molecular FormulaC9H9FN2O3S
Molecular Weight244.25 g/mol
Exact Mass244.03
IUPAC Name2-cyano-N-ethoxy-3-fluorobenzenesulfonamide
SMILESCCONS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C9H9FN2O3S/c1-2-15-12-16(13,14)9-5-3-4-8(10)7(9)6-11/h3-5,12H,2H2,1H3
InChIKeyZTRJYLCGFMCMFP-UHFFFAOYSA-N
XLogP0.93
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide
CID 115753532
N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
CID 107258270
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
2-cyano-3-fluoro-N-(4-methoxy-4-methylpentan-2-yl)benzenesulfonamide
CID 71911254
2-cyano-3-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65049476
2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile
CID 10683774
N-(1-aminohexan-2-yl)-2-cyano-3-fluorobenzenesulfonamide
CID 80696719
2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103833619
2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753840
2-cyano-3-fluoro-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107271035
2-cyano-3-fluoro-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 103833423
(2S)-2-[(2-cyano-3-fluorophenyl)sulfonylamino]hexanoic acid
CID 104934664

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethoxy-3-fluorobenzenesulfonamide?
The IUPAC name of 2-cyano-N-ethoxy-3-fluorobenzenesulfonamide (CID 64973743) is 2-cyano-N-ethoxy-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-ethoxy-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-cyano-N-ethoxy-3-fluorobenzenesulfonamide is CCONS(=O)(=O)c1cccc(F)c1C#N.
What is the InChIKey of 2-cyano-N-ethoxy-3-fluorobenzenesulfonamide?
The InChIKey is ZTRJYLCGFMCMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3S/c1-2-15-12-16(13,14)9-5-3-4-8(10)7(9)6-11/h3-5,12H,2H2,1H3.
What are the key properties of 2-cyano-N-ethoxy-3-fluorobenzenesulfonamide?
2-cyano-N-ethoxy-3-fluorobenzenesulfonamide has a molecular weight of 244.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethoxy-3-fluorobenzenesulfonamide is sourced from PubChem (CID 64973743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).