N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide

C9H7F3N2O2S — CID 63359572

IUPACN-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide
SMILESN#Cc1ccc(CNS(=O)(=O)C(F)F)c(F)c1
InChIInChI=1S/C9H7F3N2O2S/c10-8-3-6(4-13)1-2-7(8)5-14-17(15,16)9(11)12/h1-3,9,14H,5H2
InChIKeyJVYFAOGQRLPBTK-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.34
Rot. Bonds4

About N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide

N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide (PubChem CID 63359572) has the molecular formula C9H7F3N2O2S and a molecular weight of 264.23 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide
PubChem CID63359572
Molecular FormulaC9H7F3N2O2S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide
SMILESN#Cc1ccc(CNS(=O)(=O)C(F)F)c(F)c1
InChIInChI=1S/C9H7F3N2O2S/c10-8-3-6(4-13)1-2-7(8)5-14-17(15,16)9(11)12/h1-3,9,14H,5H2
InChIKeyJVYFAOGQRLPBTK-UHFFFAOYSA-N
XLogP1.34
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyano-2-fluorophenyl)methyl]propane-1-sulfonamide
CID 63359397
methyl 2-[(4-cyano-2-fluorophenyl)methylsulfamoyl]propanoate
CID 63359222
N-[(4-cyano-2-fluorophenyl)methyl]-2-methylsulfonylethanesulfonamide
CID 63359750
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzenesulfonamide
CID 63359526
N-[(4-cyano-2-fluorophenyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 104709881
4-[(2-aminoethylamino)methyl]-3-fluorobenzonitrile
CID 62140338
N-[(4-cyano-2-fluorophenyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 63359705
3-fluoro-4-[(2-methylsulfonylanilino)methyl]benzonitrile
CID 75377294
2-[(4-cyano-2-fluorophenyl)methylamino]acetamide
CID 28586696
4-(difluoromethoxymethyl)-3-fluorobenzonitrile
CID 163276095
N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 107808248
4-[(2,2-dimethylpropylamino)methyl]-3-fluorobenzonitrile
CID 61167615

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide (CID 63359572) is N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide is N#Cc1ccc(CNS(=O)(=O)C(F)F)c(F)c1.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is JVYFAOGQRLPBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2S/c10-8-3-6(4-13)1-2-7(8)5-14-17(15,16)9(11)12/h1-3,9,14H,5H2.
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide?
N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 264.23 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 63359572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).