6-[(4-fluorophenyl)sulfonylmethyl]quinoline

C16H12FNO2S — CID 64717108

IUPAC6-[(4-fluorophenyl)sulfonylmethyl]quinoline
SMILESO=S(=O)(Cc1ccc2ncccc2c1)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO2S/c17-14-4-6-15(7-5-14)21(19,20)11-12-3-8-16-13(10-12)2-1-9-18-16/h1-10H,11H2
InChIKeyCVTAKXXDMDNVOU-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.35
Rot. Bonds3

About 6-[(4-fluorophenyl)sulfonylmethyl]quinoline

6-[(4-fluorophenyl)sulfonylmethyl]quinoline (PubChem CID 64717108) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)sulfonylmethyl]quinoline.

Molecular Properties

Compound Name6-[(4-fluorophenyl)sulfonylmethyl]quinoline
PubChem CID64717108
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name6-[(4-fluorophenyl)sulfonylmethyl]quinoline
SMILESO=S(=O)(Cc1ccc2ncccc2c1)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO2S/c17-14-4-6-15(7-5-14)21(19,20)11-12-3-8-16-13(10-12)2-1-9-18-16/h1-10H,11H2
InChIKeyCVTAKXXDMDNVOU-UHFFFAOYSA-N
XLogP3.35
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
2-[(4-fluorophenyl)methylsulfonyl]pyrimidine
CID 134097933
quinoline-6-sulfonamide
CID 23273907
3-[(4-fluorophenyl)sulfonylmethyl]aniline
CID 43382293
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
ethane;6-methylsulfonylquinoline
CID 156875641
[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine
CID 107881466
sodium;hydride;quinoline-6-sulfonic acid
CID 173122364
2-[(4-fluorophenyl)methylsulfonyl]pyridine
CID 22764648
6-(1,3-dioxolan-2-ylmethyl)quinoline
CID 165178213
2-chloro-5-[(4-fluorophenyl)sulfonylmethyl]aniline
CID 43444225
1-[(4-fluorophenyl)sulfonylmethyl]-3-(methyldisulfanyl)benzene
CID 154664356

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)sulfonylmethyl]quinoline?
The IUPAC name of 6-[(4-fluorophenyl)sulfonylmethyl]quinoline (CID 64717108) is 6-[(4-fluorophenyl)sulfonylmethyl]quinoline.
What is the SMILES notation for 6-[(4-fluorophenyl)sulfonylmethyl]quinoline?
The canonical SMILES for 6-[(4-fluorophenyl)sulfonylmethyl]quinoline is O=S(=O)(Cc1ccc2ncccc2c1)c1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)sulfonylmethyl]quinoline?
The InChIKey is CVTAKXXDMDNVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c17-14-4-6-15(7-5-14)21(19,20)11-12-3-8-16-13(10-12)2-1-9-18-16/h1-10H,11H2.
What are the key properties of 6-[(4-fluorophenyl)sulfonylmethyl]quinoline?
6-[(4-fluorophenyl)sulfonylmethyl]quinoline has a molecular weight of 301.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)sulfonylmethyl]quinoline is sourced from PubChem (CID 64717108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).