N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C12H11F3N2O2S2 — CID 75453616

IUPACN-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H11F3N2O2S2/c1-17(8-9-3-2-6-20-9)21(18,19)10-4-5-11(16-7-10)12(13,14)15/h2-7H,8H2,1H3
InChIKeyNZINSLPXGGGSIB-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.98
Rot. Bonds4

About N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 75453616) has the molecular formula C12H11F3N2O2S2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID75453616
Molecular FormulaC12H11F3N2O2S2
Molecular Weight336.36 g/mol
Exact Mass336.02
IUPAC NameN-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H11F3N2O2S2/c1-17(8-9-3-2-6-20-9)21(18,19)10-4-5-11(16-7-10)12(13,14)15/h2-7H,8H2,1H3
InChIKeyNZINSLPXGGGSIB-UHFFFAOYSA-N
XLogP2.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 75453616) is N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is CN(Cc1cccs1)S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is NZINSLPXGGGSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S2/c1-17(8-9-3-2-6-20-9)21(18,19)10-4-5-11(16-7-10)12(13,14)15/h2-7H,8H2,1H3.
What are the key properties of N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 336.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 75453616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).