N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide

C23H18F2N4O3S — CID 71268618

IUPACN-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccncc4)nc3c2)c1
InChIInChI=1S/C23H18F2N4O3S/c1-2-9-33(31,32)29-16-11-17(22(25)18(24)12-16)23(30)15-3-4-19-20(10-15)28-21(13-27-19)14-5-7-26-8-6-14/h3-8,10-13,29H,2,9H2,1H3
InChIKeyFXHYIHCPQJBFIW-UHFFFAOYSA-N
MW468.49 g/mol
LogP4.35
Rot. Bonds7

About N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide

N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 71268618) has the molecular formula C23H18F2N4O3S and a molecular weight of 468.49 g/mol. Its IUPAC name is N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
PubChem CID71268618
Molecular FormulaC23H18F2N4O3S
Molecular Weight468.49 g/mol
Exact Mass468.11
IUPAC NameN-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccncc4)nc3c2)c1
InChIInChI=1S/C23H18F2N4O3S/c1-2-9-33(31,32)29-16-11-17(22(25)18(24)12-16)23(30)15-3-4-19-20(10-15)28-21(13-27-19)14-5-7-26-8-6-14/h3-8,10-13,29H,2,9H2,1H3
InChIKeyFXHYIHCPQJBFIW-UHFFFAOYSA-N
XLogP4.35
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)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-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (CID 71268618) is N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccncc4)nc3c2)c1.
What is the InChIKey of N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is FXHYIHCPQJBFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3S/c1-2-9-33(31,32)29-16-11-17(22(25)18(24)12-16)23(30)15-3-4-19-20(10-15)28-21(13-27-19)14-5-7-26-8-6-14/h3-8,10-13,29H,2,9H2,1H3.
What are the key properties of N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 468.49 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-difluoro-5-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71268618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).