N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide

C25H23F2N3O3S — CID 70696121

IUPACN-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnccc3n(CCc3ccccc3)c2=O)c1F
InChIInChI=1S/C25H23F2N3O3S/c1-2-14-34(32,33)29-21-9-8-20(26)23(24(21)27)19-15-18-16-28-12-10-22(18)30(25(19)31)13-11-17-6-4-3-5-7-17/h3-10,12,15-16,29H,2,11,13-14H2,1H3
InChIKeyGRGZTPUPSMJGKI-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.74
Rot. Bonds8

About N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide

N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide (PubChem CID 70696121) has the molecular formula C25H23F2N3O3S and a molecular weight of 483.54 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide
PubChem CID70696121
Molecular FormulaC25H23F2N3O3S
Molecular Weight483.54 g/mol
Exact Mass483.14
IUPAC NameN-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnccc3n(CCc3ccccc3)c2=O)c1F
InChIInChI=1S/C25H23F2N3O3S/c1-2-14-34(32,33)29-21-9-8-20(26)23(24(21)27)19-15-18-16-28-12-10-22(18)30(25(19)31)13-11-17-6-4-3-5-7-17/h3-10,12,15-16,29H,2,11,13-14H2,1H3
InChIKeyGRGZTPUPSMJGKI-UHFFFAOYSA-N
XLogP4.74
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide (CID 70696121) is N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnccc3n(CCc3ccccc3)c2=O)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide?
The InChIKey is GRGZTPUPSMJGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O3S/c1-2-14-34(32,33)29-21-9-8-20(26)23(24(21)27)19-15-18-16-28-12-10-22(18)30(25(19)31)13-11-17-6-4-3-5-7-17/h3-10,12,15-16,29H,2,11,13-14H2,1H3.
What are the key properties of N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide has a molecular weight of 483.54 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[2-oxo-1-(2-phenylethyl)-1,6-naphthyridin-3-yl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 70696121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).