3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide

C15H12ClF3N2O4S — CID 55794504

IUPAC3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H12ClF3N2O4S/c16-10-1-3-11(4-2-10)26(24,25)6-5-13(22)21-12-7-9(15(17,18)19)8-20-14(12)23/h1-4,7-8H,5-6H2,(H,20,23)(H,21,22)
InChIKeyBUVKLFDWUQKBJK-UHFFFAOYSA-N
MW408.79 g/mol
LogP2.85
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide

3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (PubChem CID 55794504) has the molecular formula C15H12ClF3N2O4S and a molecular weight of 408.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
PubChem CID55794504
Molecular FormulaC15H12ClF3N2O4S
Molecular Weight408.79 g/mol
Exact Mass408.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H12ClF3N2O4S/c16-10-1-3-11(4-2-10)26(24,25)6-5-13(22)21-12-7-9(15(17,18)19)8-20-14(12)23/h1-4,7-8H,5-6H2,(H,20,23)(H,21,22)
InChIKeyBUVKLFDWUQKBJK-UHFFFAOYSA-N
XLogP2.85
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.79
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (CID 55794504) is 3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The InChIKey is BUVKLFDWUQKBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O4S/c16-10-1-3-11(4-2-10)26(24,25)6-5-13(22)21-12-7-9(15(17,18)19)8-20-14(12)23/h1-4,7-8H,5-6H2,(H,20,23)(H,21,22).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide has a molecular weight of 408.79 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is sourced from PubChem (CID 55794504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).