N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide

C24H20ClFN4O3S — CID 71537905

IUPACN-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)c2ccc3ncc(-c4ccc(C)nc4)nc3c2)c1F
InChIInChI=1S/C24H20ClFN4O3S/c1-3-10-34(32,33)30-19-9-7-17(25)22(23(19)26)24(31)15-6-8-18-20(11-15)29-21(13-28-18)16-5-4-14(2)27-12-16/h4-9,11-13,30H,3,10H2,1-2H3
InChIKeyFSDZJZQPHISOQD-UHFFFAOYSA-N
MW498.97 g/mol
LogP5.18
Rot. Bonds7

About N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide

N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 71537905) has the molecular formula C24H20ClFN4O3S and a molecular weight of 498.97 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID71537905
Molecular FormulaC24H20ClFN4O3S
Molecular Weight498.97 g/mol
Exact Mass498.09
IUPAC NameN-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)c2ccc3ncc(-c4ccc(C)nc4)nc3c2)c1F
InChIInChI=1S/C24H20ClFN4O3S/c1-3-10-34(32,33)30-19-9-7-17(25)22(23(19)26)24(31)15-6-8-18-20(11-15)29-21(13-28-18)16-5-4-14(2)27-12-16/h4-9,11-13,30H,3,10H2,1-2H3
InChIKeyFSDZJZQPHISOQD-UHFFFAOYSA-N
XLogP5.18
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.97
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (CID 71537905) is N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)c2ccc3ncc(-c4ccc(C)nc4)nc3c2)c1F.
What is the InChIKey of N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is FSDZJZQPHISOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3S/c1-3-10-34(32,33)30-19-9-7-17(25)22(23(19)26)24(31)15-6-8-18-20(11-15)29-21(13-28-18)16-5-4-14(2)27-12-16/h4-9,11-13,30H,3,10H2,1-2H3.
What are the key properties of N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 498.97 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71537905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).