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

C15H13ClF3N3O3S — CID 24855874

IUPAC2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H13ClF3N3O3S/c1-14(2,26(24,25)9-6-7-11(16)20-8-9)13(23)22-12-5-3-4-10(21-12)15(17,18)19/h3-8H,1-2H3,(H,21,22,23)
InChIKeyAOSNCRNUDMJQAE-UHFFFAOYSA-N
MW407.80 g/mol
LogP3.34
Rot. Bonds4

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

2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 24855874) 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-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID24855874
Molecular FormulaC15H13ClF3N3O3S
Molecular Weight407.80 g/mol
Exact Mass407.03
IUPAC Name2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H13ClF3N3O3S/c1-14(2,26(24,25)9-6-7-11(16)20-8-9)13(23)22-12-5-3-4-10(21-12)15(17,18)19/h3-8H,1-2H3,(H,21,22,23)
InChIKeyAOSNCRNUDMJQAE-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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 24855874) is 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is AOSNCRNUDMJQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3S/c1-14(2,26(24,25)9-6-7-11(16)20-8-9)13(23)22-12-5-3-4-10(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-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[6-(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-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 24855874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).