N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide

C22H16F3N3O2S — CID 141111553

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide
SMILESC[C@H](c1ccc(F)cc1F)N(c1cccc(F)c1)S(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C22H16F3N3O2S/c1-14(18-9-8-16(24)13-19(18)25)28(17-5-2-4-15(23)12-17)31(29,30)21-7-3-6-20-22(21)27-11-10-26-20/h2-14H,1H3/t14-/m1/s1
InChIKeyYUZNAPKEGKLMHI-CQSZACIVSA-N
MW443.45 g/mol
LogP5.00
Rot. Bonds5

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide (PubChem CID 141111553) has the molecular formula C22H16F3N3O2S and a molecular weight of 443.45 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide
PubChem CID141111553
Molecular FormulaC22H16F3N3O2S
Molecular Weight443.45 g/mol
Exact Mass443.09
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide
SMILESC[C@H](c1ccc(F)cc1F)N(c1cccc(F)c1)S(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C22H16F3N3O2S/c1-14(18-9-8-16(24)13-19(18)25)28(17-5-2-4-15(23)12-17)31(29,30)21-7-3-6-20-22(21)27-11-10-26-20/h2-14H,1H3/t14-/m1/s1
InChIKeyYUZNAPKEGKLMHI-CQSZACIVSA-N
XLogP5.00
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide (CID 141111553) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide is C[C@H](c1ccc(F)cc1F)N(c1cccc(F)c1)S(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide?
The InChIKey is YUZNAPKEGKLMHI-CQSZACIVSA-N. The full InChI is InChI=1S/C22H16F3N3O2S/c1-14(18-9-8-16(24)13-19(18)25)28(17-5-2-4-15(23)12-17)31(29,30)21-7-3-6-20-22(21)27-11-10-26-20/h2-14H,1H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide has a molecular weight of 443.45 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide is sourced from PubChem (CID 141111553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).