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

C17H15F2N3O2S — CID 70689807

IUPACN-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnccc3cn2)c1F
InChIInChI=1S/C17H15F2N3O2S/c1-2-7-25(23,24)22-14-4-3-13(18)16(17(14)19)15-8-12-9-20-6-5-11(12)10-21-15/h3-6,8-10,22H,2,7H2,1H3
InChIKeyUAZHRKQSJWEKQS-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.73
Rot. Bonds5

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

N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide (PubChem CID 70689807) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide
PubChem CID70689807
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC NameN-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnccc3cn2)c1F
InChIInChI=1S/C17H15F2N3O2S/c1-2-7-25(23,24)22-14-4-3-13(18)16(17(14)19)15-8-12-9-20-6-5-11(12)10-21-15/h3-6,8-10,22H,2,7H2,1H3
InChIKeyUAZHRKQSJWEKQS-UHFFFAOYSA-N
XLogP3.73
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide (CID 70689807) is N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnccc3cn2)c1F.
What is the InChIKey of N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide?
The InChIKey is UAZHRKQSJWEKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-2-7-25(23,24)22-14-4-3-13(18)16(17(14)19)15-8-12-9-20-6-5-11(12)10-21-15/h3-6,8-10,22H,2,7H2,1H3.
What are the key properties of N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide has a molecular weight of 363.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-(2,6-naphthyridin-3-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 70689807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).