2-(trifluoromethylsulfonyl)benzamide

C8H6F3NO3S — CID 91145939

IUPAC2-(trifluoromethylsulfonyl)benzamide
SMILESNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H6F3NO3S/c9-8(10,11)16(14,15)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
InChIKeyJHFUMBOPCRFCOT-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.08
Rot. Bonds2

About 2-(trifluoromethylsulfonyl)benzamide

2-(trifluoromethylsulfonyl)benzamide (PubChem CID 91145939) has the molecular formula C8H6F3NO3S and a molecular weight of 253.20 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name2-(trifluoromethylsulfonyl)benzamide
PubChem CID91145939
Molecular FormulaC8H6F3NO3S
Molecular Weight253.20 g/mol
Exact Mass253.00
IUPAC Name2-(trifluoromethylsulfonyl)benzamide
SMILESNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H6F3NO3S/c9-8(10,11)16(14,15)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
InChIKeyJHFUMBOPCRFCOT-UHFFFAOYSA-N
XLogP1.08
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trifluoromethylsulfonyl)phenol
CID 15731663
2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride
CID 146167636
1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium
CID 159777789
CID 67588186
CID 67588186
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
3-[2-(trifluoromethylsulfonyl)anilino]propanamide
CID 43553664
2-amino-3-(benzenesulfonyl)benzamide
CID 66736112
2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide
CID 107257686
2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate
CID 83205222
3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 36591659
1-[2-(trifluoromethylsulfonyl)phenyl]butan-2-one
CID 63198852
2-methoxy-3-methylsulfonylbenzamide
CID 70437297

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of 2-(trifluoromethylsulfonyl)benzamide (CID 91145939) is 2-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for 2-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for 2-(trifluoromethylsulfonyl)benzamide is NC(=O)c1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonyl)benzamide?
The InChIKey is JHFUMBOPCRFCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3S/c9-8(10,11)16(14,15)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13).
What are the key properties of 2-(trifluoromethylsulfonyl)benzamide?
2-(trifluoromethylsulfonyl)benzamide has a molecular weight of 253.20 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 91145939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).