N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide

C16H15F3N2O3S — CID 18926408

IUPACN-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide
SMILESC=CCn1c(C(F)(F)F)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C16H15F3N2O3S/c1-2-10-21-14(16(17,18)19)9-8-13(15(21)22)20-25(23,24)11-12-6-4-3-5-7-12/h2-9,20H,1,10-11H2
InChIKeyVWJKPOVFIXVSSL-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.99
Rot. Bonds6

About N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide

N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide (PubChem CID 18926408) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide
PubChem CID18926408
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC NameN-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide
SMILESC=CCn1c(C(F)(F)F)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C16H15F3N2O3S/c1-2-10-21-14(16(17,18)19)9-8-13(15(21)22)20-25(23,24)11-12-6-4-3-5-7-12/h2-9,20H,1,10-11H2
InChIKeyVWJKPOVFIXVSSL-UHFFFAOYSA-N
XLogP2.99
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide (CID 18926408) is N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide is C=CCn1c(C(F)(F)F)ccc(NS(=O)(=O)Cc2ccccc2)c1=O.
What is the InChIKey of N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide?
The InChIKey is VWJKPOVFIXVSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-2-10-21-14(16(17,18)19)9-8-13(15(21)22)20-25(23,24)11-12-6-4-3-5-7-12/h2-9,20H,1,10-11H2.
What are the key properties of N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide?
N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide has a molecular weight of 372.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-prop-2-enyl-6-(trifluoromethyl)-3-pyridinyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 18926408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).