2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

C15H13ClF3N3O3S — CID 24855875

IUPAC2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H13ClF3N3O3S/c1-14(2,26(24,25)10-4-5-11(16)20-8-10)13(23)22-12-6-3-9(7-21-12)15(17,18)19/h3-8H,1-2H3,(H,21,22,23)
InChIKeyJMMZAHKKDKEPAJ-UHFFFAOYSA-N
MW407.80 g/mol
LogP3.34
Rot. Bonds4

About 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 24855875) has the molecular formula C15H13ClF3N3O3S and a molecular weight of 407.80 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID24855875
Molecular FormulaC15H13ClF3N3O3S
Molecular Weight407.80 g/mol
Exact Mass407.03
IUPAC Name2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H13ClF3N3O3S/c1-14(2,26(24,25)10-4-5-11(16)20-8-10)13(23)22-12-6-3-9(7-21-12)15(17,18)19/h3-8H,1-2H3,(H,21,22,23)
InChIKeyJMMZAHKKDKEPAJ-UHFFFAOYSA-N
XLogP3.34
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
CID 24855970
2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 58198489
2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 59703999
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159032670
2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24856002
2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 157281303
2-(4-cyanophenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 88879379
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-pyridin-3-ylsulfonylpropanamide;2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159303314
2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 68730839
1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 67043751
N-(3-tert-butylphenyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
CID 58198687
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-cyano-2-fluorophenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159912807

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 24855875) is 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is JMMZAHKKDKEPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3S/c1-14(2,26(24,25)10-4-5-11(16)20-8-10)13(23)22-12-6-3-9(7-21-12)15(17,18)19/h3-8H,1-2H3,(H,21,22,23).
What are the key properties of 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 407.80 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 24855875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).