N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide

C11H13FN2O3S — CID 82016327

IUPACN-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C11H13FN2O3S/c1-2-17-5-6-18(15,16)14-11-4-3-10(12)7-9(11)8-13/h3-4,7,14H,2,5-6H2,1H3
InChIKeyXIBHOONVGDYANW-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.48
Rot. Bonds6

About N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide

N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide (PubChem CID 82016327) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide
PubChem CID82016327
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C11H13FN2O3S/c1-2-17-5-6-18(15,16)14-11-4-3-10(12)7-9(11)8-13/h3-4,7,14H,2,5-6H2,1H3
InChIKeyXIBHOONVGDYANW-UHFFFAOYSA-N
XLogP1.48
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide
CID 82015245
2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide
CID 82685131
2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene
CID 82015510
N-(2-cyano-4-fluorophenyl)-4-ethoxybutanamide
CID 79954693
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815174
N-(2-cyano-4-nitrophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518616
2-(2-ethoxyethoxy)-5-fluorobenzonitrile
CID 63669220
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-ethoxyethanesulfonamide
CID 81281029
N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 112556193
3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
CID 63245877
N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
CID 63245490
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]butane-1-sulfonamide
CID 60814929

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide (CID 82016327) is N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide?
The InChIKey is XIBHOONVGDYANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c1-2-17-5-6-18(15,16)14-11-4-3-10(12)7-9(11)8-13/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide?
N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide has a molecular weight of 272.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 82016327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).