N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide

C9H8F2N2O3S — CID 43175608

IUPACN-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide
SMILESN#CCOc1ccc(NS(=O)(=O)C(F)F)cc1
InChIInChI=1S/C9H8F2N2O3S/c10-9(11)17(14,15)13-7-1-3-8(4-2-7)16-6-5-12/h1-4,9,13H,6H2
InChIKeyQUVUAGIKWQDZPF-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.55
Rot. Bonds5

About N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide

N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide (PubChem CID 43175608) has the molecular formula C9H8F2N2O3S and a molecular weight of 262.24 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide
PubChem CID43175608
Molecular FormulaC9H8F2N2O3S
Molecular Weight262.24 g/mol
Exact Mass262.02
IUPAC NameN-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide
SMILESN#CCOc1ccc(NS(=O)(=O)C(F)F)cc1
InChIInChI=1S/C9H8F2N2O3S/c10-9(11)17(14,15)13-7-1-3-8(4-2-7)16-6-5-12/h1-4,9,13H,6H2
InChIKeyQUVUAGIKWQDZPF-UHFFFAOYSA-N
XLogP1.55
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
CID 43242609
methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate
CID 61458467
1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
CID 63664967
N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide
CID 62997815
N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide
CID 115606497
N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047896
4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide
CID 60621668
N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide
CID 112684914
1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide
CID 43604018
2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide
CID 32675605
1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64795267
N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607007

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide (CID 43175608) is N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide is N#CCOc1ccc(NS(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide?
The InChIKey is QUVUAGIKWQDZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O3S/c10-9(11)17(14,15)13-7-1-3-8(4-2-7)16-6-5-12/h1-4,9,13H,6H2.
What are the key properties of N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide?
N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide has a molecular weight of 262.24 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43175608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).