2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide

C19H20F2N4O2S — CID 50840577

IUPAC2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(NCc3cc(F)cc(F)c3)cnc2c1
InChIInChI=1S/C19H20F2N4O2S/c1-3-25(4-2)28(26,27)16-5-6-17-18(10-16)22-12-19(24-17)23-11-13-7-14(20)9-15(21)8-13/h5-10,12H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyLPKNXZLDQWQQSB-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.55
Rot. Bonds7

About 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide

2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide (PubChem CID 50840577) has the molecular formula C19H20F2N4O2S and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide
PubChem CID50840577
Molecular FormulaC19H20F2N4O2S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC Name2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(NCc3cc(F)cc(F)c3)cnc2c1
InChIInChI=1S/C19H20F2N4O2S/c1-3-25(4-2)28(26,27)16-5-6-17-18(10-16)22-12-19(24-17)23-11-13-7-14(20)9-15(21)8-13/h5-10,12H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyLPKNXZLDQWQQSB-UHFFFAOYSA-N
XLogP3.55
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide?
The IUPAC name of 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide (CID 50840577) is 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide?
The canonical SMILES for 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2nc(NCc3cc(F)cc(F)c3)cnc2c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide?
The InChIKey is LPKNXZLDQWQQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2S/c1-3-25(4-2)28(26,27)16-5-6-17-18(10-16)22-12-19(24-17)23-11-13-7-14(20)9-15(21)8-13/h5-10,12H,3-4,11H2,1-2H3,(H,23,24).
What are the key properties of 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide?
2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide has a molecular weight of 406.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide is sourced from PubChem (CID 50840577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).