N-(cyanomethyl)-3-fluorobenzenesulfonamide

C8H7FN2O2S — CID 60707704

IUPACN-(cyanomethyl)-3-fluorobenzenesulfonamide
SMILESN#CCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C8H7FN2O2S/c9-7-2-1-3-8(6-7)14(12,13)11-5-4-10/h1-3,6,11H,5H2
InChIKeyVWLOSRCYHFHBBQ-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.63
Rot. Bonds3

About N-(cyanomethyl)-3-fluorobenzenesulfonamide

N-(cyanomethyl)-3-fluorobenzenesulfonamide (PubChem CID 60707704) has the molecular formula C8H7FN2O2S and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(cyanomethyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-fluorobenzenesulfonamide
PubChem CID60707704
Molecular FormulaC8H7FN2O2S
Molecular Weight214.22 g/mol
Exact Mass214.02
IUPAC NameN-(cyanomethyl)-3-fluorobenzenesulfonamide
SMILESN#CCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C8H7FN2O2S/c9-7-2-1-3-8(6-7)14(12,13)11-5-4-10/h1-3,6,11H,5H2
InChIKeyVWLOSRCYHFHBBQ-UHFFFAOYSA-N
XLogP0.63
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-(3-cyanopentan-3-yl)-3-fluorobenzenesulfonamide
CID 61123913
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
[(1S)-1-cyanoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961631
4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553473
3-[(3-fluorophenyl)sulfonylamino]propanethioamide
CID 62666138
3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 55102286
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(cyanomethyl)-3-fluorobenzenesulfonamide (CID 60707704) is N-(cyanomethyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(cyanomethyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(cyanomethyl)-3-fluorobenzenesulfonamide is N#CCNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(cyanomethyl)-3-fluorobenzenesulfonamide?
The InChIKey is VWLOSRCYHFHBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2S/c9-7-2-1-3-8(6-7)14(12,13)11-5-4-10/h1-3,6,11H,5H2.
What are the key properties of N-(cyanomethyl)-3-fluorobenzenesulfonamide?
N-(cyanomethyl)-3-fluorobenzenesulfonamide has a molecular weight of 214.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 60707704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).