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

C24H20F2N4O3S — CID 71268608

IUPACN-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccc(C)nc4)nc3c2)c1
InChIInChI=1S/C24H20F2N4O3S/c1-3-8-34(32,33)30-17-10-18(23(26)19(25)11-17)24(31)15-6-7-20-21(9-15)29-22(13-28-20)16-5-4-14(2)27-12-16/h4-7,9-13,30H,3,8H2,1-2H3
InChIKeyFNTBZNJUQGNLKM-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.66
Rot. Bonds7

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

N-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 71268608) has the molecular formula C24H20F2N4O3S and a molecular weight of 482.51 g/mol. Its IUPAC name is N-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID71268608
Molecular FormulaC24H20F2N4O3S
Molecular Weight482.51 g/mol
Exact Mass482.12
IUPAC NameN-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccc(C)nc4)nc3c2)c1
InChIInChI=1S/C24H20F2N4O3S/c1-3-8-34(32,33)30-17-10-18(23(26)19(25)11-17)24(31)15-6-7-20-21(9-15)29-22(13-28-20)16-5-4-14(2)27-12-16/h4-7,9-13,30H,3,8H2,1-2H3
InChIKeyFNTBZNJUQGNLKM-UHFFFAOYSA-N
XLogP4.66
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide (CID 71268608) is N-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccc(C)nc4)nc3c2)c1.
What is the InChIKey of N-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is FNTBZNJUQGNLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3S/c1-3-8-34(32,33)30-17-10-18(23(26)19(25)11-17)24(31)15-6-7-20-21(9-15)29-22(13-28-20)16-5-4-14(2)27-12-16/h4-7,9-13,30H,3,8H2,1-2H3.
What are the key properties of N-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide?
N-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 482.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-difluoro-5-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71268608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).