N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide

C20H21FN4O4S — CID 71538452

IUPACN-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3ncc(OCCN)nc3c2)c1F
InChIInChI=1S/C20H21FN4O4S/c1-2-10-30(27,28)25-16-5-3-4-14(19(16)21)20(26)13-6-7-15-17(11-13)24-18(12-23-15)29-9-8-22/h3-7,11-12,25H,2,8-10,22H2,1H3
InChIKeyJHPXMONBVCIZNR-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.49
Rot. Bonds9

About N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide

N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide (PubChem CID 71538452) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide
PubChem CID71538452
Molecular FormulaC20H21FN4O4S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC NameN-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3ncc(OCCN)nc3c2)c1F
InChIInChI=1S/C20H21FN4O4S/c1-2-10-30(27,28)25-16-5-3-4-14(19(16)21)20(26)13-6-7-15-17(11-13)24-18(12-23-15)29-9-8-22/h3-7,11-12,25H,2,8-10,22H2,1H3
InChIKeyJHPXMONBVCIZNR-UHFFFAOYSA-N
XLogP2.49
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide (CID 71538452) is N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C(=O)c2ccc3ncc(OCCN)nc3c2)c1F.
What is the InChIKey of N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide?
The InChIKey is JHPXMONBVCIZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c1-2-10-30(27,28)25-16-5-3-4-14(19(16)21)20(26)13-6-7-15-17(11-13)24-18(12-23-15)29-9-8-22/h3-7,11-12,25H,2,8-10,22H2,1H3.
What are the key properties of N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide?
N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide has a molecular weight of 432.48 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-2-fluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 71538452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).