N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide

C8H9F3N2O3S — CID 61063335

IUPACN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C8H9F3N2O3S/c1-17(14,15)13-6-2-3-7(12-4-6)16-5-8(9,10)11/h2-4,13H,5H2,1H3
InChIKeyRXQVEISSMAUWTL-UHFFFAOYSA-N
MW270.23 g/mol
LogP1.39
Rot. Bonds4

About N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide

N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide (PubChem CID 61063335) has the molecular formula C8H9F3N2O3S and a molecular weight of 270.23 g/mol. Its IUPAC name is N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide
PubChem CID61063335
Molecular FormulaC8H9F3N2O3S
Molecular Weight270.23 g/mol
Exact Mass270.03
IUPAC NameN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C8H9F3N2O3S/c1-17(14,15)13-6-2-3-7(12-4-6)16-5-8(9,10)11/h2-4,13H,5H2,1H3
InChIKeyRXQVEISSMAUWTL-UHFFFAOYSA-N
XLogP1.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
CID 62998761
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
5-acetamido-2-(methanesulfonamido)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 56579205
1-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazole-4-sulfonamide
CID 166265973
N-[3-(methanesulfonamido)-4-methoxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24673292
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
N-[(4-methylsulfinylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 75386395
N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677195
N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 55030411

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide (CID 61063335) is N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide?
The InChIKey is RXQVEISSMAUWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3S/c1-17(14,15)13-6-2-3-7(12-4-6)16-5-8(9,10)11/h2-4,13H,5H2,1H3.
What are the key properties of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide?
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide has a molecular weight of 270.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 61063335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).