N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C13H19F3N2O3S — CID 97349839

IUPACN-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCC[C@@](C)(CNS(=O)(=O)c1ccc(C(F)(F)F)nc1)[C@H](C)O
InChIInChI=1S/C13H19F3N2O3S/c1-4-12(3,9(2)19)8-18-22(20,21)10-5-6-11(17-7-10)13(14,15)16/h5-7,9,18-19H,4,8H2,1-3H3/t9-,12-/m0/s1
InChIKeyNMXFBYYVDLZEGN-CABZTGNLSA-N
MW340.37 g/mol
LogP2.18
Rot. Bonds6

About N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 97349839) has the molecular formula C13H19F3N2O3S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID97349839
Molecular FormulaC13H19F3N2O3S
Molecular Weight340.37 g/mol
Exact Mass340.11
IUPAC NameN-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCC[C@@](C)(CNS(=O)(=O)c1ccc(C(F)(F)F)nc1)[C@H](C)O
InChIInChI=1S/C13H19F3N2O3S/c1-4-12(3,9(2)19)8-18-22(20,21)10-5-6-11(17-7-10)13(14,15)16/h5-7,9,18-19H,4,8H2,1-3H3/t9-,12-/m0/s1
InChIKeyNMXFBYYVDLZEGN-CABZTGNLSA-N
XLogP2.18
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)-N-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84600539
N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84600613
N-(oxolan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84600733
N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide
CID 95970906
N-{[4-(Hydroxymethyl)oxan-4-YL]methyl}pyridine-3-sulfonamide
CID 122556089
N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide
CID 164637562
N-tert-butyl-2-(2-fluoro-1-hydroxypropyl)pyridine-3-sulfonamide
CID 22648719
N-tert-butyl-2-(2-fluoro-1-hydroxybutyl)pyridine-3-sulfonamide
CID 23228230
6-[3,3-Bis(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]pyridine-3-sulfonamide
CID 23370508
N-((1R,2R)-2-(hydroxymethyl)cyclohexyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 59497782
2-(1,1,1-Trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 66730558
2-(1,1,1-Trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
CID 66730612

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 97349839) is N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is CC[C@@](C)(CNS(=O)(=O)c1ccc(C(F)(F)F)nc1)[C@H](C)O.
What is the InChIKey of N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is NMXFBYYVDLZEGN-CABZTGNLSA-N. The full InChI is InChI=1S/C13H19F3N2O3S/c1-4-12(3,9(2)19)8-18-22(20,21)10-5-6-11(17-7-10)13(14,15)16/h5-7,9,18-19H,4,8H2,1-3H3/t9-,12-/m0/s1.
What are the key properties of N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 340.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-ethyl-3-hydroxy-2-methylbutyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 97349839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).