N-(trifluoromethylsulfonyl)benzamide

C8H6F3NO3S — CID 12023043

IUPACN-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C8H6F3NO3S/c9-8(10,11)16(14,15)12-7(13)6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChIKeyDUENTUDGKBXYRX-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.27
Rot. Bonds2

About N-(trifluoromethylsulfonyl)benzamide

N-(trifluoromethylsulfonyl)benzamide (PubChem CID 12023043) has the molecular formula C8H6F3NO3S and a molecular weight of 253.20 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)benzamide
PubChem CID12023043
Molecular FormulaC8H6F3NO3S
Molecular Weight253.20 g/mol
Exact Mass253.00
IUPAC NameN-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C8H6F3NO3S/c9-8(10,11)16(14,15)12-7(13)6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChIKeyDUENTUDGKBXYRX-UHFFFAOYSA-N
XLogP1.27
TPSA63.24 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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(trifluoromethylsulfonylcarbamoyl)phenyl] benzenesulfonate
CID 155170716
N-[chloro-(2-cyclopropylethoxy)-fluoromethyl]sulfonylbenzamide
CID 140663551
4-butan-2-yl-N-(trifluoromethylsulfonyl)benzamide
CID 135209714
2,6-dichloro-N-(trifluoromethylsulfonyl)benzamide
CID 134087949
N-[chloro-(2-cyclohexylethoxy)-fluoromethyl]sulfonylbenzamide
CID 140683935
3-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide
CID 155621282
2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide
CID 155170790
N-(1-bromo-2-oxo-2-phenylethyl)-1,1,1-trifluoromethanesulfonamide
CID 154221934
N-(ethylsulfamoyl)benzamide
CID 154250118
phenyl N-benzoylsulfamate
CID 165129244
benzoylsulfamoyl benzoate
CID 57250029
benzoic acid;sulfuryl difluoride
CID 22153377

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-(trifluoromethylsulfonyl)benzamide (CID 12023043) is N-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)benzamide is O=C(NS(=O)(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-(trifluoromethylsulfonyl)benzamide?
The InChIKey is DUENTUDGKBXYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3S/c9-8(10,11)16(14,15)12-7(13)6-4-2-1-3-5-6/h1-5H,(H,12,13).
What are the key properties of N-(trifluoromethylsulfonyl)benzamide?
N-(trifluoromethylsulfonyl)benzamide has a molecular weight of 253.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 12023043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).