1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene

C8H6F3NO2S — CID 150616996

IUPAC1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene
SMILESO=S(=O)=NCC(F)(F)c1ccc(F)cc1
InChIInChI=1S/C8H6F3NO2S/c9-7-3-1-6(2-4-7)8(10,11)5-12-15(13)14/h1-4H,5H2
InChIKeyIVCFMANJAWIPRD-UHFFFAOYSA-N
MW237.20 g/mol
LogP1.98
Rot. Bonds3

About 1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene

1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene (PubChem CID 150616996) has the molecular formula C8H6F3NO2S and a molecular weight of 237.20 g/mol. Its IUPAC name is 1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene
PubChem CID150616996
Molecular FormulaC8H6F3NO2S
Molecular Weight237.20 g/mol
Exact Mass237.01
IUPAC Name1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene
SMILESO=S(=O)=NCC(F)(F)c1ccc(F)cc1
InChIInChI=1S/C8H6F3NO2S/c9-7-3-1-6(2-4-7)8(10,11)5-12-15(13)14/h1-4H,5H2
InChIKeyIVCFMANJAWIPRD-UHFFFAOYSA-N
XLogP1.98
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(4-fluorophenyl)ethyl)methanesulfonamide
CID 1530178
N-benzyl-1,1,1-trifluoromethanesulphonamide
CID 118985
2,2-Difluoro-2-phenylethylamine
CID 12635529
N-Phenethyltrifluoromethanesulfonamide
CID 11118575
1-Fluoro-2-(2-isocyanoethyl)benzene
CID 2759052
3-Fluorophenethylisocyanide
CID 2759053
4-Fluorophenethylisocyanide
CID 2759054
N-[(4-fluorophenyl)methyl]sulfamoyl chloride
CID 22279349
N-(2-phenylethyl)sulfamoyl chloride
CID 22279355
N-methyl-N-(2-phenylethyl)sulfamoyl chloride
CID 22326596
2,2-Difluoro-2-(4-fluorophenyl)ethan-1-amine
CID 68770515
1-[2-(Dimethylsulfamoylamino)ethyl]-2-fluorobenzene
CID 35310058

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene?
The IUPAC name of 1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene (CID 150616996) is 1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene is O=S(=O)=NCC(F)(F)c1ccc(F)cc1.
What is the InChIKey of 1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene?
The InChIKey is IVCFMANJAWIPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2S/c9-7-3-1-6(2-4-7)8(10,11)5-12-15(13)14/h1-4H,5H2.
What are the key properties of 1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene?
1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene has a molecular weight of 237.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-difluoro-2-(sulfonylamino)ethyl]-4-fluorobenzene is sourced from PubChem (CID 150616996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).