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

C22H17FIN3O2S — CID 141111548

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide
SMILESC[C@H](c1ccc(F)cc1)N(c1cccc(I)c1)S(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C22H17FIN3O2S/c1-15(16-8-10-17(23)11-9-16)27(19-5-2-4-18(24)14-19)30(28,29)21-7-3-6-20-22(21)26-13-12-25-20/h2-15H,1H3/t15-/m1/s1
InChIKeyZZLJHMSPHJPZAX-OAHLLOKOSA-N
MW533.37 g/mol
LogP5.33
Rot. Bonds5

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

N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide (PubChem CID 141111548) has the molecular formula C22H17FIN3O2S and a molecular weight of 533.37 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide
PubChem CID141111548
Molecular FormulaC22H17FIN3O2S
Molecular Weight533.37 g/mol
Exact Mass533.01
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide
SMILESC[C@H](c1ccc(F)cc1)N(c1cccc(I)c1)S(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C22H17FIN3O2S/c1-15(16-8-10-17(23)11-9-16)27(19-5-2-4-18(24)14-19)30(28,29)21-7-3-6-20-22(21)26-13-12-25-20/h2-15H,1H3/t15-/m1/s1
InChIKeyZZLJHMSPHJPZAX-OAHLLOKOSA-N
XLogP5.33
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-Amino-N-quinolin-8-yl-benzenesulfonamide
CID 1070159
3,5-difluoro-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 8028189
N-allyl-N-phenylquinoline-8-sulfonamide
CID 6621373
4-Phenyl-1-(8-quinolylsulfonyl)piperazine
CID 1356333
Methyl(phenylsulfonyl)-8-quinolylamine
CID 720583
4-fluoro-N-quinolin-8-ylbenzenesulfonamide
CID 8823663
Quinoxalinium, 1-methyl-, 4-methylbenzenesulfonate (1:1)
CID 162161
8-((4-(4-Fluorophenyl)piperazin-1-yl)sulfonyl)quinoline
CID 1158039
8-((4-Benzylpiperazin-1-yl)sulfonyl)quinoline
CID 1281731
8-[(4-Cyclohexylpiperazin-1-yl)sulfonyl]quinoline
CID 16003434
N-(Cyclohexylmethyl)-N-[3-(4-(4-fluorophenyl)-piperazin-1-yl)-propyl]quinoline-8-sulfonamide
CID 46232691
N-butyl-N-phenyl-8-quinolinesulfonamide
CID 6621395

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide (CID 141111548) is N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide is C[C@H](c1ccc(F)cc1)N(c1cccc(I)c1)S(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide?
The InChIKey is ZZLJHMSPHJPZAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H17FIN3O2S/c1-15(16-8-10-17(23)11-9-16)27(19-5-2-4-18(24)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-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide has a molecular weight of 533.37 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide is sourced from PubChem (CID 141111548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).