N-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide

C23H18ClFN4O3S — CID 71268551

IUPACN-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccncc4)nc3c2)c1Cl
InChIInChI=1S/C23H18ClFN4O3S/c1-2-11-33(31,32)29-18-6-4-16(25)21(22(18)24)23(30)15-3-5-17-19(12-15)28-20(13-27-17)14-7-9-26-10-8-14/h3-10,12-13,29H,2,11H2,1H3
InChIKeyOALRREMNNPGDPX-UHFFFAOYSA-N
MW484.94 g/mol
LogP4.87
Rot. Bonds7

About N-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide

N-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 71268551) has the molecular formula C23H18ClFN4O3S and a molecular weight of 484.94 g/mol. Its IUPAC name is N-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
PubChem CID71268551
Molecular FormulaC23H18ClFN4O3S
Molecular Weight484.94 g/mol
Exact Mass484.08
IUPAC NameN-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccncc4)nc3c2)c1Cl
InChIInChI=1S/C23H18ClFN4O3S/c1-2-11-33(31,32)29-18-6-4-16(25)21(22(18)24)23(30)15-3-5-17-19(12-15)28-20(13-27-17)14-7-9-26-10-8-14/h3-10,12-13,29H,2,11H2,1H3
InChIKeyOALRREMNNPGDPX-UHFFFAOYSA-N
XLogP4.87
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-chloro-4-fluoro-3-(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-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (CID 71268551) is N-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccncc4)nc3c2)c1Cl.
What is the InChIKey of N-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is OALRREMNNPGDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O3S/c1-2-11-33(31,32)29-18-6-4-16(25)21(22(18)24)23(30)15-3-5-17-19(12-15)28-20(13-27-17)14-7-9-26-10-8-14/h3-10,12-13,29H,2,11H2,1H3.
What are the key properties of N-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
N-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 484.94 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-fluoro-3-(3-pyridin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71268551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).