1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide

C9H8F5NO2S — CID 114827661

IUPAC1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)C(c1ccc(C(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H8F5NO2S/c10-8(11)6-3-1-5(2-4-6)7(9(12,13)14)18(15,16)17/h1-4,7-8H,(H2,15,16,17)
InChIKeySZRBCYWNTGKWDM-UHFFFAOYSA-N
MW289.23 g/mol
LogP2.52
Rot. Bonds3

About 1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide

1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 114827661) has the molecular formula C9H8F5NO2S and a molecular weight of 289.23 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide
PubChem CID114827661
Molecular FormulaC9H8F5NO2S
Molecular Weight289.23 g/mol
Exact Mass289.02
IUPAC Name1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)C(c1ccc(C(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H8F5NO2S/c10-8(11)6-3-1-5(2-4-6)7(9(12,13)14)18(15,16)17/h1-4,7-8H,(H2,15,16,17)
InChIKeySZRBCYWNTGKWDM-UHFFFAOYSA-N
XLogP2.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827624
1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827602
1-chloropentane;2,2,2-trifluoro-1-phenylethanesulfonamide
CID 174529281
2,2,2-trifluoro-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 114827628
[2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethyl)sulfonylethyl]benzene
CID 87624100
1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827613
2,2,2-trifluoro-1-phenylethanesulfonyl chloride
CID 75480361
2,2,2-trifluoro-1-(4-methyl-3-pyridinyl)ethanesulfonamide
CID 114827746
4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22998040
[4-(difluoromethyl)phenyl]sulfonylurea
CID 172769356
2-[4-(difluoromethyl)phenyl]propan-2-amine
CID 117280197
4-(difluoromethyl)aniline;ethane
CID 178149856

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide (CID 114827661) is 1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide is NS(=O)(=O)C(c1ccc(C(F)F)cc1)C(F)(F)F.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide?
The InChIKey is SZRBCYWNTGKWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO2S/c10-8(11)6-3-1-5(2-4-6)7(9(12,13)14)18(15,16)17/h1-4,7-8H,(H2,15,16,17).
What are the key properties of 1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide?
1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 289.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 114827661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).