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

C24H20ClFN4O3S — CID 71268628

IUPACN-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccc(C)nc4)nc3c2)c1Cl
InChIInChI=1S/C24H20ClFN4O3S/c1-3-10-34(32,33)30-19-9-7-17(26)22(23(19)25)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
InChIKeyISLOJPHBXGQQAI-UHFFFAOYSA-N
MW498.97 g/mol
LogP5.18
Rot. Bonds7

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

N-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 71268628) has the molecular formula C24H20ClFN4O3S and a molecular weight of 498.97 g/mol. Its IUPAC name is N-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID71268628
Molecular FormulaC24H20ClFN4O3S
Molecular Weight498.97 g/mol
Exact Mass498.09
IUPAC NameN-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccc(C)nc4)nc3c2)c1Cl
InChIInChI=1S/C24H20ClFN4O3S/c1-3-10-34(32,33)30-19-9-7-17(26)22(23(19)25)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
InChIKeyISLOJPHBXGQQAI-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-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (CID 71268628) is N-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccc(C)nc4)nc3c2)c1Cl.
What is the InChIKey of N-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is ISLOJPHBXGQQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3S/c1-3-10-34(32,33)30-19-9-7-17(26)22(23(19)25)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-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
N-[2-chloro-4-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-[2-chloro-4-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71268628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).