N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C15H17F3N4O3S — CID 128999241

IUPACN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C15H17F3N4O3S/c1-22-9-10(7-20-22)14-12(3-2-6-25-14)21-26(23,24)11-4-5-13(19-8-11)15(16,17)18/h4-5,7-9,12,14,21H,2-3,6H2,1H3/t12-,14+/m0/s1
InChIKeyKPQOFMNQXPFIOV-GXTWGEPZSA-N
MW390.39 g/mol
LogP2.03
Rot. Bonds4

About N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 128999241) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID128999241
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C15H17F3N4O3S/c1-22-9-10(7-20-22)14-12(3-2-6-25-14)21-26(23,24)11-4-5-13(19-8-11)15(16,17)18/h4-5,7-9,12,14,21H,2-3,6H2,1H3/t12-,14+/m0/s1
InChIKeyKPQOFMNQXPFIOV-GXTWGEPZSA-N
XLogP2.03
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 128999241) is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is KPQOFMNQXPFIOV-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-22-9-10(7-20-22)14-12(3-2-6-25-14)21-26(23,24)11-4-5-13(19-8-11)15(16,17)18/h4-5,7-9,12,14,21H,2-3,6H2,1H3/t12-,14+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 390.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 128999241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).