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

C18H17F2N3O3S — CID 70696120

IUPACN-[2,4-difluoro-3-(2-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnccc3c(=O)n2C)c1F
InChIInChI=1S/C18H17F2N3O3S/c1-3-8-27(25,26)22-14-5-4-13(19)16(17(14)20)15-9-11-10-21-7-6-12(11)18(24)23(15)2/h4-7,9-10,22H,3,8H2,1-2H3
InChIKeyIZYPLFNUDLNRPT-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.03
Rot. Bonds5

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

N-[2,4-difluoro-3-(2-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide (PubChem CID 70696120) has the molecular formula C18H17F2N3O3S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(2-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(2-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide
PubChem CID70696120
Molecular FormulaC18H17F2N3O3S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC NameN-[2,4-difluoro-3-(2-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnccc3c(=O)n2C)c1F
InChIInChI=1S/C18H17F2N3O3S/c1-3-8-27(25,26)22-14-5-4-13(19)16(17(14)20)15-9-11-10-21-7-6-12(11)18(24)23(15)2/h4-7,9-10,22H,3,8H2,1-2H3
InChIKeyIZYPLFNUDLNRPT-UHFFFAOYSA-N
XLogP3.03
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.03
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-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(2-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide (CID 70696120) is N-[2,4-difluoro-3-(2-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(2-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(2-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnccc3c(=O)n2C)c1F.
What is the InChIKey of N-[2,4-difluoro-3-(2-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide?
The InChIKey is IZYPLFNUDLNRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3S/c1-3-8-27(25,26)22-14-5-4-13(19)16(17(14)20)15-9-11-10-21-7-6-12(11)18(24)23(15)2/h4-7,9-10,22H,3,8H2,1-2H3.
What are the key properties of N-[2,4-difluoro-3-(2-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-(2-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide has a molecular weight of 393.42 g/mol, XLogP of 3.03, 5 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-methyl-1-oxo-2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 70696120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).