N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide

C12H17F3N2O3S — CID 97340071

IUPACN-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
SMILESCC[C@H](C)N(C)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H17F3N2O3S/c1-4-9(2)17(3)21(18,19)10-5-6-11(16-7-10)20-8-12(13,14)15/h5-7,9H,4,8H2,1-3H3/t9-/m0/s1
InChIKeyYYPNZYPGEJHJCR-VIFPVBQESA-N
MW326.34 g/mol
LogP2.44
Rot. Bonds6

About N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide

N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide (PubChem CID 97340071) has the molecular formula C12H17F3N2O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
PubChem CID97340071
Molecular FormulaC12H17F3N2O3S
Molecular Weight326.34 g/mol
Exact Mass326.09
IUPAC NameN-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
SMILESCC[C@H](C)N(C)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H17F3N2O3S/c1-4-9(2)17(3)21(18,19)10-5-6-11(16-7-10)20-8-12(13,14)15/h5-7,9H,4,8H2,1-3H3/t9-/m0/s1
InChIKeyYYPNZYPGEJHJCR-VIFPVBQESA-N
XLogP2.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide (CID 97340071) is N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide is CC[C@H](C)N(C)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The InChIKey is YYPNZYPGEJHJCR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17F3N2O3S/c1-4-9(2)17(3)21(18,19)10-5-6-11(16-7-10)20-8-12(13,14)15/h5-7,9H,4,8H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide has a molecular weight of 326.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 97340071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).