N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide

C19H14ClF3N4O3S — CID 11839079

IUPACN-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1cccnc1Cl
InChIInChI=1S/C19H14ClF3N4O3S/c20-17-13(7-4-9-24-17)25-16(28)8-10-31(29,30)18-26-14(12-5-2-1-3-6-12)11-15(27-18)19(21,22)23/h1-7,9,11H,8,10H2,(H,25,28)
InChIKeyRTNUBUZMOFMJSH-UHFFFAOYSA-N
MW470.86 g/mol
LogP4.01
Rot. Bonds6

About N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide

N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide (PubChem CID 11839079) has the molecular formula C19H14ClF3N4O3S and a molecular weight of 470.86 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide
PubChem CID11839079
Molecular FormulaC19H14ClF3N4O3S
Molecular Weight470.86 g/mol
Exact Mass470.04
IUPAC NameN-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1cccnc1Cl
InChIInChI=1S/C19H14ClF3N4O3S/c20-17-13(7-4-9-24-17)25-16(28)8-10-31(29,30)18-26-14(12-5-2-1-3-6-12)11-15(27-18)19(21,22)23/h1-7,9,11H,8,10H2,(H,25,28)
InChIKeyRTNUBUZMOFMJSH-UHFFFAOYSA-N
XLogP4.01
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.86
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide 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-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide (CID 11839079) is N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide is O=C(CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide?
The InChIKey is RTNUBUZMOFMJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O3S/c20-17-13(7-4-9-24-17)25-16(28)8-10-31(29,30)18-26-14(12-5-2-1-3-6-12)11-15(27-18)19(21,22)23/h1-7,9,11H,8,10H2,(H,25,28).
What are the key properties of N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide?
N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide has a molecular weight of 470.86 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide is sourced from PubChem (CID 11839079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).