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

C24H21FN4O3S — CID 71534785

IUPACN-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3ncc(-c4ccc(C)nc4)nc3c2)c1F
InChIInChI=1S/C24H21FN4O3S/c1-3-11-33(31,32)29-20-6-4-5-18(23(20)25)24(30)16-9-10-19-21(12-16)28-22(14-27-19)17-8-7-15(2)26-13-17/h4-10,12-14,29H,3,11H2,1-2H3
InChIKeyKCWYTMPTWWDDLW-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.52
Rot. Bonds7

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

N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 71534785) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID71534785
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC NameN-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3ncc(-c4ccc(C)nc4)nc3c2)c1F
InChIInChI=1S/C24H21FN4O3S/c1-3-11-33(31,32)29-20-6-4-5-18(23(20)25)24(30)16-9-10-19-21(12-16)28-22(14-27-19)17-8-7-15(2)26-13-17/h4-10,12-14,29H,3,11H2,1-2H3
InChIKeyKCWYTMPTWWDDLW-UHFFFAOYSA-N
XLogP4.52
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (CID 71534785) is N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3ncc(-c4ccc(C)nc4)nc3c2)c1F.
What is the InChIKey of N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is KCWYTMPTWWDDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c1-3-11-33(31,32)29-20-6-4-5-18(23(20)25)24(30)16-9-10-19-21(12-16)28-22(14-27-19)17-8-7-15(2)26-13-17/h4-10,12-14,29H,3,11H2,1-2H3.
What are the key properties of N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 464.52 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71534785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).