N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide

C8H8FN3O2S — CID 81311102

IUPACN-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide
SMILESN#CCS(=O)(=O)Nc1c(N)cccc1F
InChIInChI=1S/C8H8FN3O2S/c9-6-2-1-3-7(11)8(6)12-15(13,14)5-4-10/h1-3,12H,5,11H2
InChIKeyZCDJLTKAGPXPKB-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.67
Rot. Bonds3

About N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide

N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide (PubChem CID 81311102) has the molecular formula C8H8FN3O2S and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide
PubChem CID81311102
Molecular FormulaC8H8FN3O2S
Molecular Weight229.24 g/mol
Exact Mass229.03
IUPAC NameN-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide
SMILESN#CCS(=O)(=O)Nc1c(N)cccc1F
InChIInChI=1S/C8H8FN3O2S/c9-6-2-1-3-7(11)8(6)12-15(13,14)5-4-10/h1-3,12H,5,11H2
InChIKeyZCDJLTKAGPXPKB-UHFFFAOYSA-N
XLogP0.67
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 81310210
N-(2-amino-6-fluorophenyl)-4-chlorobenzenesulfonamide
CID 81311013
N-(2,6-difluorophenyl)ethanesulfonamide
CID 60642898
4-(2-amino-6-fluoroanilino)benzonitrile
CID 112740450
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
N-(2-amino-6-fluorophenyl)-3-bromobenzenesulfonamide
CID 81310122
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
CID 114764782
N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 107600421
N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide
CID 107612174
N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 81310728
N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 43330093

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide (CID 81311102) is N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide is N#CCS(=O)(=O)Nc1c(N)cccc1F.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide?
The InChIKey is ZCDJLTKAGPXPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O2S/c9-6-2-1-3-7(11)8(6)12-15(13,14)5-4-10/h1-3,12H,5,11H2.
What are the key properties of N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide?
N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide has a molecular weight of 229.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)-1-cyanomethanesulfonamide is sourced from PubChem (CID 81311102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).