2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide

C21H18FN3O3S — CID 90248477

IUPAC2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide
SMILESO=C1Nc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2NC1Cc1ccccc1
InChIInChI=1S/C21H18FN3O3S/c22-15-7-4-8-16(12-15)25-29(27,28)17-9-10-18-19(13-17)24-21(26)20(23-18)11-14-5-2-1-3-6-14/h1-10,12-13,20,23,25H,11H2,(H,24,26)
InChIKeyNKAFADNDSPUQNK-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.60
Rot. Bonds5

About 2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide

2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide (PubChem CID 90248477) has the molecular formula C21H18FN3O3S and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide.

Molecular Properties

Compound Name2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide
PubChem CID90248477
Molecular FormulaC21H18FN3O3S
Molecular Weight411.46 g/mol
Exact Mass411.11
IUPAC Name2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide
SMILESO=C1Nc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2NC1Cc1ccccc1
InChIInChI=1S/C21H18FN3O3S/c22-15-7-4-8-16(12-15)25-29(27,28)17-9-10-18-19(13-17)24-21(26)20(23-18)11-14-5-2-1-3-6-14/h1-10,12-13,20,23,25H,11H2,(H,24,26)
InChIKeyNKAFADNDSPUQNK-UHFFFAOYSA-N
XLogP3.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide?
The IUPAC name of 2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide (CID 90248477) is 2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide.
What is the SMILES notation for 2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide?
The canonical SMILES for 2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide is O=C1Nc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2NC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide?
The InChIKey is NKAFADNDSPUQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S/c22-15-7-4-8-16(12-15)25-29(27,28)17-9-10-18-19(13-17)24-21(26)20(23-18)11-14-5-2-1-3-6-14/h1-10,12-13,20,23,25H,11H2,(H,24,26).
What are the key properties of 2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide?
2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide has a molecular weight of 411.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3-fluorophenyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide is sourced from PubChem (CID 90248477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).