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

C24H19F2N3O3S — CID 71268641

IUPACN-[2,4-difluoro-3-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccccc4)nc3c2)c1F
InChIInChI=1S/C24H19F2N3O3S/c1-2-12-33(31,32)29-19-11-9-17(25)22(23(19)26)24(30)16-8-10-18-20(13-16)28-21(14-27-18)15-6-4-3-5-7-15/h3-11,13-14,29H,2,12H2,1H3
InChIKeyGIKVVFBPFKIJJI-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.96
Rot. Bonds7

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

N-[2,4-difluoro-3-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 71268641) has the molecular formula C24H19F2N3O3S and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
PubChem CID71268641
Molecular FormulaC24H19F2N3O3S
Molecular Weight467.50 g/mol
Exact Mass467.11
IUPAC NameN-[2,4-difluoro-3-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccccc4)nc3c2)c1F
InChIInChI=1S/C24H19F2N3O3S/c1-2-12-33(31,32)29-19-11-9-17(25)22(23(19)26)24(30)16-8-10-18-20(13-16)28-21(14-27-18)15-6-4-3-5-7-15/h3-11,13-14,29H,2,12H2,1H3
InChIKeyGIKVVFBPFKIJJI-UHFFFAOYSA-N
XLogP4.96
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.96
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-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (CID 71268641) is N-[2,4-difluoro-3-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccccc4)nc3c2)c1F.
What is the InChIKey of N-[2,4-difluoro-3-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is GIKVVFBPFKIJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O3S/c1-2-12-33(31,32)29-19-11-9-17(25)22(23(19)26)24(30)16-8-10-18-20(13-16)28-21(14-27-18)15-6-4-3-5-7-15/h3-11,13-14,29H,2,12H2,1H3.
What are the key properties of N-[2,4-difluoro-3-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 467.50 g/mol, XLogP of 4.96, 7 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-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71268641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).