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

C24H19F2N3O3S — CID 71268625

IUPACN-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccccc4)nc3c2)c1
InChIInChI=1S/C24H19F2N3O3S/c1-2-10-33(31,32)29-17-12-18(23(26)19(25)13-17)24(30)16-8-9-20-21(11-16)28-22(14-27-20)15-6-4-3-5-7-15/h3-9,11-14,29H,2,10H2,1H3
InChIKeyDFLZKPMBADZLGF-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.96
Rot. Bonds7

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

N-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 71268625) has the molecular formula C24H19F2N3O3S and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
PubChem CID71268625
Molecular FormulaC24H19F2N3O3S
Molecular Weight467.50 g/mol
Exact Mass467.11
IUPAC NameN-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccccc4)nc3c2)c1
InChIInChI=1S/C24H19F2N3O3S/c1-2-10-33(31,32)29-17-12-18(23(26)19(25)13-17)24(30)16-8-9-20-21(11-16)28-22(14-27-20)15-6-4-3-5-7-15/h3-9,11-14,29H,2,10H2,1H3
InChIKeyDFLZKPMBADZLGF-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-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (CID 71268625) is N-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccccc4)nc3c2)c1.
What is the InChIKey of N-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is DFLZKPMBADZLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O3S/c1-2-10-33(31,32)29-17-12-18(23(26)19(25)13-17)24(30)16-8-9-20-21(11-16)28-22(14-27-20)15-6-4-3-5-7-15/h3-9,11-14,29H,2,10H2,1H3.
What are the key properties of N-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
N-[3,4-difluoro-5-(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-[3,4-difluoro-5-(3-phenylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71268625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).