4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde

C16H14FNO3S — CID 155923743

IUPAC4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde
SMILESO=Cc1ccc(S(=O)(=O)N2CCCc3cc(F)ccc32)cc1
InChIInChI=1S/C16H14FNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2
InChIKeyHFGLWYIDQNXWJN-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.78
Rot. Bonds3

About 4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde

4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde (PubChem CID 155923743) has the molecular formula C16H14FNO3S and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde.

Molecular Properties

Compound Name4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde
PubChem CID155923743
Molecular FormulaC16H14FNO3S
Molecular Weight319.36 g/mol
Exact Mass319.07
IUPAC Name4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde
SMILESO=Cc1ccc(S(=O)(=O)N2CCCc3cc(F)ccc32)cc1
InChIInChI=1S/C16H14FNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2
InChIKeyHFGLWYIDQNXWJN-UHFFFAOYSA-N
XLogP2.78
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
4-ethyl-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27368912
1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
CID 118714845
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
acetamide;acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol
CID 144805036
1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 52582833
5-fluoro-2-methoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955848
2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
CID 56797641
2-ethoxy-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7657751
3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 18565205

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde?
The IUPAC name of 4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde (CID 155923743) is 4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde.
What is the SMILES notation for 4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde?
The canonical SMILES for 4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde is O=Cc1ccc(S(=O)(=O)N2CCCc3cc(F)ccc32)cc1.
What is the InChIKey of 4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde?
The InChIKey is HFGLWYIDQNXWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2.
What are the key properties of 4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde?
4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde has a molecular weight of 319.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde is sourced from PubChem (CID 155923743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).