N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide

C15H19F3N2O3S — CID 162558024

IUPACN-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide
SMILESCc1c(NS(=O)(=O)C2CCC2)cc(C2CC2)c(=O)n1CC(F)(F)F
InChIInChI=1S/C15H19F3N2O3S/c1-9-13(19-24(22,23)11-3-2-4-11)7-12(10-5-6-10)14(21)20(9)8-15(16,17)18/h7,10-11,19H,2-6,8H2,1H3
InChIKeyUIHMPKWRSMQZES-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.89
Rot. Bonds5

About N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide

N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide (PubChem CID 162558024) has the molecular formula C15H19F3N2O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide
PubChem CID162558024
Molecular FormulaC15H19F3N2O3S
Molecular Weight364.39 g/mol
Exact Mass364.11
IUPAC NameN-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide
SMILESCc1c(NS(=O)(=O)C2CCC2)cc(C2CC2)c(=O)n1CC(F)(F)F
InChIInChI=1S/C15H19F3N2O3S/c1-9-13(19-24(22,23)11-3-2-4-11)7-12(10-5-6-10)14(21)20(9)8-15(16,17)18/h7,10-11,19H,2-6,8H2,1H3
InChIKeyUIHMPKWRSMQZES-UHFFFAOYSA-N
XLogP2.89
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide?
The IUPAC name of N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide (CID 162558024) is N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide?
The canonical SMILES for N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide is Cc1c(NS(=O)(=O)C2CCC2)cc(C2CC2)c(=O)n1CC(F)(F)F.
What is the InChIKey of N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide?
The InChIKey is UIHMPKWRSMQZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3S/c1-9-13(19-24(22,23)11-3-2-4-11)7-12(10-5-6-10)14(21)20(9)8-15(16,17)18/h7,10-11,19H,2-6,8H2,1H3.
What are the key properties of N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide?
N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide has a molecular weight of 364.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-2-methyl-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]cyclobutanesulfonamide is sourced from PubChem (CID 162558024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).