1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide

C7H3F6NO2S — CID 5314630

IUPAC1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide
SMILESO=S(=O)(Nc1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C7H3F6NO2S/c8-3-1-4(9)6(5(10)2-3)14-17(15,16)7(11,12)13/h1-2,14H
InChIKeyDXHQBURGLCQKSI-UHFFFAOYSA-N
MW279.16 g/mol
LogP2.37
Rot. Bonds2

About 1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide

1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide (PubChem CID 5314630) has the molecular formula C7H3F6NO2S and a molecular weight of 279.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide
PubChem CID5314630
Molecular FormulaC7H3F6NO2S
Molecular Weight279.16 g/mol
Exact Mass278.98
IUPAC Name1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide
SMILESO=S(=O)(Nc1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C7H3F6NO2S/c8-3-1-4(9)6(5(10)2-3)14-17(15,16)7(11,12)13/h1-2,14H
InChIKeyDXHQBURGLCQKSI-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 5314606
1,1,1-trifluoro-N-(4-hydroxy-2,6-dimethylphenyl)methanesulfonamide
CID 125496552
N-(2-amino-5-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 63257611
N-(5-amino-2-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43604958
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
(2,4,6-trifluorophenyl) trifluoromethanesulfonate
CID 87155117
2-fluoro-4-(trifluoromethylsulfonylamino)benzoic acid
CID 58727995
4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069515
5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide
CID 106069519
N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
CID 17068588
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide
CID 70939637

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide (CID 5314630) is 1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide is O=S(=O)(Nc1c(F)cc(F)cc1F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide?
The InChIKey is DXHQBURGLCQKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO2S/c8-3-1-4(9)6(5(10)2-3)14-17(15,16)7(11,12)13/h1-2,14H.
What are the key properties of 1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide?
1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide has a molecular weight of 279.16 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide is sourced from PubChem (CID 5314630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).