3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide

C17H13FN2O2S — CID 126516495

IUPAC3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide
SMILESC=Cc1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1F
InChIInChI=1S/C17H13FN2O2S/c1-2-12-6-4-10-15(16(12)18)23(21,22)20-14-9-3-7-13-8-5-11-19-17(13)14/h2-11,20H,1H2
InChIKeyHSNXYRZWUSPIAF-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.82
Rot. Bonds4

About 3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide

3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 126516495) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide
PubChem CID126516495
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide
SMILESC=Cc1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1F
InChIInChI=1S/C17H13FN2O2S/c1-2-12-6-4-10-15(16(12)18)23(21,22)20-14-9-3-7-13-8-5-11-19-17(13)14/h2-11,20H,1H2
InChIKeyHSNXYRZWUSPIAF-UHFFFAOYSA-N
XLogP3.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
N-(2,5-difluorophenyl)quinoline-8-sulfonamide
CID 22773481
6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466436
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide
CID 5007550
4-methyl-N-quinolin-8-yl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466493
5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
3-(dimethylamino)-N-quinolin-8-ylpyridine-2-sulfonamide
CID 171466452
6-amino-N-quinolin-8-ylpyridine-3-sulfonamide
CID 62164738

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide (CID 126516495) is 3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide is C=Cc1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1F.
What is the InChIKey of 3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is HSNXYRZWUSPIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-2-12-6-4-10-15(16(12)18)23(21,22)20-14-9-3-7-13-8-5-11-19-17(13)14/h2-11,20H,1H2.
What are the key properties of 3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide?
3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 328.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 126516495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).