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

C22H16F2IN3O2S — CID 141111547

IUPACN-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide
SMILESO=S(=O)(c1cccc2nccnc12)N(c1cccc(I)c1)[C@H](CF)c1ccc(F)cc1
InChIInChI=1S/C22H16F2IN3O2S/c23-14-20(15-7-9-16(24)10-8-15)28(18-4-1-3-17(25)13-18)31(29,30)21-6-2-5-19-22(21)27-12-11-26-19/h1-13,20H,14H2/t20-/m1/s1
InChIKeyGFFHAVHIIIYXNS-HXUWFJFHSA-N
MW551.36 g/mol
LogP5.28
Rot. Bonds6

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

N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide (PubChem CID 141111547) has the molecular formula C22H16F2IN3O2S and a molecular weight of 551.36 g/mol. Its IUPAC name is N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide
PubChem CID141111547
Molecular FormulaC22H16F2IN3O2S
Molecular Weight551.36 g/mol
Exact Mass551.00
IUPAC NameN-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide
SMILESO=S(=O)(c1cccc2nccnc12)N(c1cccc(I)c1)[C@H](CF)c1ccc(F)cc1
InChIInChI=1S/C22H16F2IN3O2S/c23-14-20(15-7-9-16(24)10-8-15)28(18-4-1-3-17(25)13-18)31(29,30)21-6-2-5-19-22(21)27-12-11-26-19/h1-13,20H,14H2/t20-/m1/s1
InChIKeyGFFHAVHIIIYXNS-HXUWFJFHSA-N
XLogP5.28
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.36
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide?
The IUPAC name of N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide (CID 141111547) is N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide.
What is the SMILES notation for N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide?
The canonical SMILES for N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide is O=S(=O)(c1cccc2nccnc12)N(c1cccc(I)c1)[C@H](CF)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide?
The InChIKey is GFFHAVHIIIYXNS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H16F2IN3O2S/c23-14-20(15-7-9-16(24)10-8-15)28(18-4-1-3-17(25)13-18)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-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide?
N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide has a molecular weight of 551.36 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide is sourced from PubChem (CID 141111547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).