N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide

C22H16ClF2N3O2S — CID 141111542

IUPACN-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide
SMILESO=S(=O)(c1cccc2nccnc12)N(c1cccc(Cl)c1)[C@H](CF)c1ccc(F)cc1
InChIInChI=1S/C22H16ClF2N3O2S/c23-16-3-1-4-18(13-16)28(20(14-24)15-7-9-17(25)10-8-15)31(29,30)21-6-2-5-19-22(21)27-12-11-26-19/h1-13,20H,14H2/t20-/m1/s1
InChIKeyLOJDEWAFHDSDOX-HXUWFJFHSA-N
MW459.91 g/mol
LogP5.33
Rot. Bonds6

About N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide

N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide (PubChem CID 141111542) has the molecular formula C22H16ClF2N3O2S and a molecular weight of 459.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide
PubChem CID141111542
Molecular FormulaC22H16ClF2N3O2S
Molecular Weight459.91 g/mol
Exact Mass459.06
IUPAC NameN-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide
SMILESO=S(=O)(c1cccc2nccnc12)N(c1cccc(Cl)c1)[C@H](CF)c1ccc(F)cc1
InChIInChI=1S/C22H16ClF2N3O2S/c23-16-3-1-4-18(13-16)28(20(14-24)15-7-9-17(25)10-8-15)31(29,30)21-6-2-5-19-22(21)27-12-11-26-19/h1-13,20H,14H2/t20-/m1/s1
InChIKeyLOJDEWAFHDSDOX-HXUWFJFHSA-N
XLogP5.33
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.91
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide (CID 141111542) is N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide is O=S(=O)(c1cccc2nccnc12)N(c1cccc(Cl)c1)[C@H](CF)c1ccc(F)cc1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide?
The InChIKey is LOJDEWAFHDSDOX-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H16ClF2N3O2S/c23-16-3-1-4-18(13-16)28(20(14-24)15-7-9-17(25)10-8-15)31(29,30)21-6-2-5-19-22(21)27-12-11-26-19/h1-13,20H,14H2/t20-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide?
N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide has a molecular weight of 459.91 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide is sourced from PubChem (CID 141111542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).