N-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide

C22H17ClFN3O2S — CID 141111551

IUPACN-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide
SMILESC[C@H](c1ccc(F)cc1)N(c1cccc(Cl)c1)S(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C22H17ClFN3O2S/c1-15(16-8-10-18(24)11-9-16)27(19-5-2-4-17(23)14-19)30(28,29)21-7-3-6-20-22(21)26-13-12-25-20/h2-15H,1H3/t15-/m1/s1
InChIKeyDMJOXXAGYPHDRV-OAHLLOKOSA-N
MW441.92 g/mol
LogP5.38
Rot. Bonds5

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

N-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide (PubChem CID 141111551) has the molecular formula C22H17ClFN3O2S and a molecular weight of 441.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide
PubChem CID141111551
Molecular FormulaC22H17ClFN3O2S
Molecular Weight441.92 g/mol
Exact Mass441.07
IUPAC NameN-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide
SMILESC[C@H](c1ccc(F)cc1)N(c1cccc(Cl)c1)S(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C22H17ClFN3O2S/c1-15(16-8-10-18(24)11-9-16)27(19-5-2-4-17(23)14-19)30(28,29)21-7-3-6-20-22(21)26-13-12-25-20/h2-15H,1H3/t15-/m1/s1
InChIKeyDMJOXXAGYPHDRV-OAHLLOKOSA-N
XLogP5.38
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.92
LogP ≤ 55.38
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-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide (CID 141111551) is N-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide is C[C@H](c1ccc(F)cc1)N(c1cccc(Cl)c1)S(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of N-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide?
The InChIKey is DMJOXXAGYPHDRV-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H17ClFN3O2S/c1-15(16-8-10-18(24)11-9-16)27(19-5-2-4-17(23)14-19)30(28,29)21-7-3-6-20-22(21)26-13-12-25-20/h2-15H,1H3/t15-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide?
N-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide has a molecular weight of 441.92 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide is sourced from PubChem (CID 141111551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).