N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide

C24H23F3N2O4S — CID 122508188

IUPACN,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C24H23F3N2O4S/c1-3-29(4-2)34(32,33)21-12-13-23(31)28(15-21)16-22(30)18-10-8-17(9-11-18)19-6-5-7-20(14-19)24(25,26)27/h5-15H,3-4,16H2,1-2H3
InChIKeyALKJZYRCWNBNMS-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.45
Rot. Bonds8

About N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide

N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide (PubChem CID 122508188) has the molecular formula C24H23F3N2O4S and a molecular weight of 492.52 g/mol. Its IUPAC name is N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide
PubChem CID122508188
Molecular FormulaC24H23F3N2O4S
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC NameN,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C24H23F3N2O4S/c1-3-29(4-2)34(32,33)21-12-13-23(31)28(15-21)16-22(30)18-10-8-17(9-11-18)19-6-5-7-20(14-19)24(25,26)27/h5-15H,3-4,16H2,1-2H3
InChIKeyALKJZYRCWNBNMS-UHFFFAOYSA-N
XLogP4.45
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide (CID 122508188) is N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1.
What is the InChIKey of N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide?
The InChIKey is ALKJZYRCWNBNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4S/c1-3-29(4-2)34(32,33)21-12-13-23(31)28(15-21)16-22(30)18-10-8-17(9-11-18)19-6-5-7-20(14-19)24(25,26)27/h5-15H,3-4,16H2,1-2H3.
What are the key properties of N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide?
N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide has a molecular weight of 492.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 122508188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).