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

C14H15F3N4O3S — CID 129004841

IUPACN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C14H15F3N4O3S/c1-21-8-9(6-19-21)13-11(4-5-24-13)20-25(22,23)10-2-3-12(18-7-10)14(15,16)17/h2-3,6-8,11,13,20H,4-5H2,1H3/t11-,13+/m0/s1
InChIKeyOLKRJVVJQHCKTB-WCQYABFASA-N
MW376.36 g/mol
LogP1.64
Rot. Bonds4

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

N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 129004841) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID129004841
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C14H15F3N4O3S/c1-21-8-9(6-19-21)13-11(4-5-24-13)20-25(22,23)10-2-3-12(18-7-10)14(15,16)17/h2-3,6-8,11,13,20H,4-5H2,1H3/t11-,13+/m0/s1
InChIKeyOLKRJVVJQHCKTB-WCQYABFASA-N
XLogP1.64
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 129004841) is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is Cn1cc([C@H]2OCC[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)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is OLKRJVVJQHCKTB-WCQYABFASA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c1-21-8-9(6-19-21)13-11(4-5-24-13)20-25(22,23)10-2-3-12(18-7-10)14(15,16)17/h2-3,6-8,11,13,20H,4-5H2,1H3/t11-,13+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 376.36 g/mol, XLogP of 1.64, 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)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 129004841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).