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

C24H18F3N3O3S — CID 71268638

IUPACN-[2,4-difluoro-3-[3-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccc(F)cc4)nc3c2)c1F
InChIInChI=1S/C24H18F3N3O3S/c1-2-11-34(32,33)30-19-10-8-17(26)22(23(19)27)24(31)15-5-9-18-20(12-15)29-21(13-28-18)14-3-6-16(25)7-4-14/h3-10,12-13,30H,2,11H2,1H3
InChIKeyRPODDNYZSCBTSJ-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.10
Rot. Bonds7

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

N-[2,4-difluoro-3-[3-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 71268638) has the molecular formula C24H18F3N3O3S and a molecular weight of 485.49 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[3-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[3-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID71268638
Molecular FormulaC24H18F3N3O3S
Molecular Weight485.49 g/mol
Exact Mass485.10
IUPAC NameN-[2,4-difluoro-3-[3-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccc(F)cc4)nc3c2)c1F
InChIInChI=1S/C24H18F3N3O3S/c1-2-11-34(32,33)30-19-10-8-17(26)22(23(19)27)24(31)15-5-9-18-20(12-15)29-21(13-28-18)14-3-6-16(25)7-4-14/h3-10,12-13,30H,2,11H2,1H3
InChIKeyRPODDNYZSCBTSJ-UHFFFAOYSA-N
XLogP5.10
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.10
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-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[3-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (CID 71268638) is N-[2,4-difluoro-3-[3-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[3-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[3-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccc(F)cc4)nc3c2)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[3-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is RPODDNYZSCBTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3S/c1-2-11-34(32,33)30-19-10-8-17(26)22(23(19)27)24(31)15-5-9-18-20(12-15)29-21(13-28-18)14-3-6-16(25)7-4-14/h3-10,12-13,30H,2,11H2,1H3.
What are the key properties of N-[2,4-difluoro-3-[3-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-[3-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 485.49 g/mol, XLogP of 5.10, 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-(4-fluorophenyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71268638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).