1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide

C8H8F3NO2S — CID 2305826

IUPAC1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H8F3NO2S/c1-6-4-2-3-5-7(6)12-15(13,14)8(9,10)11/h2-5,12H,1H3
InChIKeyNRKGEKKXOAEQQN-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.26
Rot. Bonds2

About 1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide

1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide (PubChem CID 2305826) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide
PubChem CID2305826
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H8F3NO2S/c1-6-4-2-3-5-7(6)12-15(13,14)8(9,10)11/h2-5,12H,1H3
InChIKeyNRKGEKKXOAEQQN-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide (CID 2305826) is 1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide is Cc1ccccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide?
The InChIKey is NRKGEKKXOAEQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-6-4-2-3-5-7(6)12-15(13,14)8(9,10)11/h2-5,12H,1H3.
What are the key properties of 1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-methylphenyl)methanesulfonamide has a molecular weight of 239.22 g/mol, XLogP of 2.26, 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-methylphenyl)methanesulfonamide is sourced from PubChem (CID 2305826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).