1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide

C13H12F3N3O2S — CID 11359466

IUPAC1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide
SMILESCN(c1ccccc1)c1cnccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H12F3N3O2S/c1-19(10-5-3-2-4-6-10)12-9-17-8-7-11(12)18-22(20,21)13(14,15)16/h2-9H,1H3,(H,17,18)
InChIKeyFNALGEDMFJISPC-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.11
Rot. Bonds4

About 1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide

1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide (PubChem CID 11359466) has the molecular formula C13H12F3N3O2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide
PubChem CID11359466
Molecular FormulaC13H12F3N3O2S
Molecular Weight331.32 g/mol
Exact Mass331.06
IUPAC Name1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide
SMILESCN(c1ccccc1)c1cnccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H12F3N3O2S/c1-19(10-5-3-2-4-6-10)12-9-17-8-7-11(12)18-22(20,21)13(14,15)16/h2-9H,1H3,(H,17,18)
InChIKeyFNALGEDMFJISPC-UHFFFAOYSA-N
XLogP3.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide (CID 11359466) is 1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide is CN(c1ccccc1)c1cnccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide?
The InChIKey is FNALGEDMFJISPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2S/c1-19(10-5-3-2-4-6-10)12-9-17-8-7-11(12)18-22(20,21)13(14,15)16/h2-9H,1H3,(H,17,18).
What are the key properties of 1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide?
1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide has a molecular weight of 331.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[3-(N-methylanilino)-4-pyridinyl]methanesulfonamide is sourced from PubChem (CID 11359466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).