N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide

C10H10F3N3O4S — CID 148921385

IUPACN-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)Nc1ncc(S(C)(=O)=O)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C10H10F3N3O4S/c1-5(17)15-8-7(16-9(18)10(11,12)13)3-6(4-14-8)21(2,19)20/h3-4H,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyIVVFETWFJMRVBF-UHFFFAOYSA-N
MW325.27 g/mol
LogP0.94
Rot. Bonds3

About N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide

N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide (PubChem CID 148921385) has the molecular formula C10H10F3N3O4S and a molecular weight of 325.27 g/mol. Its IUPAC name is N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide
PubChem CID148921385
Molecular FormulaC10H10F3N3O4S
Molecular Weight325.27 g/mol
Exact Mass325.03
IUPAC NameN-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)Nc1ncc(S(C)(=O)=O)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C10H10F3N3O4S/c1-5(17)15-8-7(16-9(18)10(11,12)13)3-6(4-14-8)21(2,19)20/h3-4H,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyIVVFETWFJMRVBF-UHFFFAOYSA-N
XLogP0.94
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide (CID 148921385) is N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide is CC(=O)Nc1ncc(S(C)(=O)=O)cc1NC(=O)C(F)(F)F.
What is the InChIKey of N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide?
The InChIKey is IVVFETWFJMRVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O4S/c1-5(17)15-8-7(16-9(18)10(11,12)13)3-6(4-14-8)21(2,19)20/h3-4H,1-2H3,(H,16,18)(H,14,15,17).
What are the key properties of N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide?
N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide has a molecular weight of 325.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 148921385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).