N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide

C15H10FIN2O2S — CID 5007550

IUPACN-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1F)c1cccc2cccnc12
InChIInChI=1S/C15H10FIN2O2S/c16-12-9-11(17)6-7-13(12)19-22(20,21)14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H
InChIKeyMXXSTBLQGVCHQU-UHFFFAOYSA-N
MW428.23 g/mol
LogP3.78
Rot. Bonds3

About N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide

N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide (PubChem CID 5007550) has the molecular formula C15H10FIN2O2S and a molecular weight of 428.23 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide
PubChem CID5007550
Molecular FormulaC15H10FIN2O2S
Molecular Weight428.23 g/mol
Exact Mass427.95
IUPAC NameN-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1F)c1cccc2cccnc12
InChIInChI=1S/C15H10FIN2O2S/c16-12-9-11(17)6-7-13(12)19-22(20,21)14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H
InChIKeyMXXSTBLQGVCHQU-UHFFFAOYSA-N
XLogP3.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,5-difluorophenyl)quinoline-8-sulfonamide
CID 22773481
5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
N-(2-chloro-4-sulfamoylphenyl)quinoline-8-sulfonamide
CID 35767151
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400
N-[2-fluoro-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 67505097
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-[4-[4-[(3,5-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
CID 59634800

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide (CID 5007550) is N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide is O=S(=O)(Nc1ccc(I)cc1F)c1cccc2cccnc12.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide?
The InChIKey is MXXSTBLQGVCHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FIN2O2S/c16-12-9-11(17)6-7-13(12)19-22(20,21)14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H.
What are the key properties of N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide?
N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide has a molecular weight of 428.23 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 5007550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).