4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide

C16H12FN3O4S — CID 132515099

IUPAC4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc(F)cc2)c2ncccc12
InChIInChI=1S/C16H12FN3O4S/c17-12-4-6-13(7-5-12)25(23,24)19-10-11-3-8-15(20(21)22)14-2-1-9-18-16(11)14/h1-9,19H,10H2
InChIKeyFHIKRJOKQBKIAO-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.76
Rot. Bonds5

About 4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide

4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide (PubChem CID 132515099) has the molecular formula C16H12FN3O4S and a molecular weight of 361.35 g/mol. Its IUPAC name is 4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide
PubChem CID132515099
Molecular FormulaC16H12FN3O4S
Molecular Weight361.35 g/mol
Exact Mass361.05
IUPAC Name4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc(F)cc2)c2ncccc12
InChIInChI=1S/C16H12FN3O4S/c17-12-4-6-13(7-5-12)25(23,24)19-10-11-3-8-15(20(21)22)14-2-1-9-18-16(11)14/h1-9,19H,10H2
InChIKeyFHIKRJOKQBKIAO-UHFFFAOYSA-N
XLogP2.76
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide 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

1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171
8-(2-bromopropyl)-5-nitroquinoline
CID 63202831
4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148390
N,3,3-trimethyl-1-(5-nitroquinolin-8-yl)butan-2-amine
CID 63198005
N-(3-aminopropyl)-5-nitroquinoline-8-sulfonamide
CID 120706703
N-[2-(methylamino)ethyl]-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120708645
4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148360
N-(3-aminopropyl)-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120706702
1-cyclopropyl-2-(5-nitroquinolin-8-yl)ethanone
CID 63355452
5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide
CID 120715909
4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275553
8-(2-chloro-3,3-dimethylbutyl)-5-nitroquinoline
CID 63202485

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide (CID 132515099) is 4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide is O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccc(F)cc2)c2ncccc12.
What is the InChIKey of 4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide?
The InChIKey is FHIKRJOKQBKIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O4S/c17-12-4-6-13(7-5-12)25(23,24)19-10-11-3-8-15(20(21)22)14-2-1-9-18-16(11)14/h1-9,19H,10H2.
What are the key properties of 4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide has a molecular weight of 361.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 132515099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).