7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline

C16H12FNO3S — CID 91316778

IUPAC7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline
SMILESCOc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2)c1
InChIInChI=1S/C16H12FNO3S/c1-21-13-3-2-4-14(9-13)22(19,20)15-7-11-5-6-12(17)8-16(11)18-10-15/h2-10H,1H3
InChIKeyJVOTVHQPJXKJRU-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.22
Rot. Bonds3

About 7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline

7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline (PubChem CID 91316778) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is 7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline.

Molecular Properties

Compound Name7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline
PubChem CID91316778
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline
SMILESCOc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2)c1
InChIInChI=1S/C16H12FNO3S/c1-21-13-3-2-4-14(9-13)22(19,20)15-7-11-5-6-12(17)8-16(11)18-10-15/h2-10H,1H3
InChIKeyJVOTVHQPJXKJRU-UHFFFAOYSA-N
XLogP3.22
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline 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

(7-fluoroquinolin-3-yl) trifluoromethanesulfonate
CID 10063077
7-fluoro-3-(3-fluoro-5-methoxyphenyl)quinoline
CID 157018506
1-[3-(3-methoxyphenyl)sulfonylquinolin-8-yl]azetidin-3-ol
CID 130404400
2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline
CID 90727189
2-fluoro-6-(6-fluoronaphthalen-2-yl)sulfonylnaphthalene
CID 59266821
3-methoxyquinoline-7-thiol
CID 163480444
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
3-(3-fluorophenyl)sulfonylquinolin-8-amine
CID 67314085
1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine
CID 174707738
N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
CID 103775610
3-methoxybenzenesulfonamide
CID 14763060
2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene
CID 11324042

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline?
The IUPAC name of 7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline (CID 91316778) is 7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline.
What is the SMILES notation for 7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline?
The canonical SMILES for 7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline is COc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2)c1.
What is the InChIKey of 7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline?
The InChIKey is JVOTVHQPJXKJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S/c1-21-13-3-2-4-14(9-13)22(19,20)15-7-11-5-6-12(17)8-16(11)18-10-15/h2-10H,1H3.
What are the key properties of 7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline?
7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline has a molecular weight of 317.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline is sourced from PubChem (CID 91316778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).