N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide

C8H6FIN2O2S — CID 67244741

IUPACN-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1c(F)cc(C#N)cc1I
InChIInChI=1S/C8H6FIN2O2S/c1-15(13,14)12-8-6(9)2-5(4-11)3-7(8)10/h2-3,12H,1H3
InChIKeyXGDOVCQCCKYRBH-UHFFFAOYSA-N
MW340.12 g/mol
LogP1.67
Rot. Bonds2

About N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide

N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide (PubChem CID 67244741) has the molecular formula C8H6FIN2O2S and a molecular weight of 340.12 g/mol. Its IUPAC name is N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide
PubChem CID67244741
Molecular FormulaC8H6FIN2O2S
Molecular Weight340.12 g/mol
Exact Mass339.92
IUPAC NameN-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1c(F)cc(C#N)cc1I
InChIInChI=1S/C8H6FIN2O2S/c1-15(13,14)12-8-6(9)2-5(4-11)3-7(8)10/h2-3,12H,1H3
InChIKeyXGDOVCQCCKYRBH-UHFFFAOYSA-N
XLogP1.67
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide
CID 90346738
3-fluoro-4,5-diiodobenzonitrile
CID 130840586
3,5-difluoro-4-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]benzonitrile
CID 94814048
4-[(1-ethylsulfonylpiperidin-4-yl)amino]-3,5-difluorobenzonitrile
CID 51098326
3-fluoro-4-iodobenzonitrile
CID 24721521
4-(but-3-en-2-ylamino)-3,5-difluorobenzonitrile
CID 115692016
4-(2-aminopropylamino)-3,5-difluorobenzonitrile
CID 81293263
N-[3-[(4-cyano-2,6-difluorophenyl)methylamino]propyl]methanesulfonamide
CID 107165844
3,5-difluoro-4-(2-methylsulfonylethylsulfanyl)benzonitrile
CID 81283216
4-(2-bromoacetyl)-3-fluoro-5-iodobenzonitrile
CID 171021896
3,5-difluoro-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzonitrile
CID 81294787
N-[4-[(1S)-1-aminoethyl]-2,6-difluorophenyl]methanesulfonamide;hydrochloride
CID 131637134

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide?
The IUPAC name of N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide (CID 67244741) is N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide?
The canonical SMILES for N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide is CS(=O)(=O)Nc1c(F)cc(C#N)cc1I.
What is the InChIKey of N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide?
The InChIKey is XGDOVCQCCKYRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIN2O2S/c1-15(13,14)12-8-6(9)2-5(4-11)3-7(8)10/h2-3,12H,1H3.
What are the key properties of N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide?
N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide has a molecular weight of 340.12 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide is sourced from PubChem (CID 67244741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).