N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide

C7H4F5NO2S — CID 5314606

IUPACN-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C7H4F5NO2S/c8-4-2-1-3-5(9)6(4)13-16(14,15)7(10,11)12/h1-3,13H
InChIKeyDSFSBNFINHAYNH-UHFFFAOYSA-N
MW261.17 g/mol
LogP2.23
Rot. Bonds2

About N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide

N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 5314606) has the molecular formula C7H4F5NO2S and a molecular weight of 261.17 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID5314606
Molecular FormulaC7H4F5NO2S
Molecular Weight261.17 g/mol
Exact Mass260.99
IUPAC NameN-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C7H4F5NO2S/c8-4-2-1-3-5(9)6(4)13-16(14,15)7(10,11)12/h1-3,13H
InChIKeyDSFSBNFINHAYNH-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide
CID 5314630
N-(2,6-difluorophenyl)ethanesulfonamide
CID 60642898
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
1,1,1-trifluoro-N-[2-fluoro-6-[hydroxy-[4-(hydroxymethyl)-6-methoxypyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 71172469
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
3-[(2,6-difluorophenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 71941450
2-chloro-6-fluoro-N-(trifluoromethylsulfonyl)benzamide
CID 134087950
N-(5-amino-2-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43604958
N-(2-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43605598
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188
1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide
CID 159790833
2-fluoro-4-(trifluoromethylsulfonylamino)benzoic acid
CID 58727995

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide (CID 5314606) is N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(Nc1c(F)cccc1F)C(F)(F)F.
What is the InChIKey of N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is DSFSBNFINHAYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO2S/c8-4-2-1-3-5(9)6(4)13-16(14,15)7(10,11)12/h1-3,13H.
What are the key properties of N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide?
N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 261.17 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 5314606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).