3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline

C25H17NO2S — CID 164578295

IUPAC3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline
SMILESO=S(=O)(c1ccccc1)c1cnc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C25H17NO2S/c27-29(28,19-11-2-1-3-12-19)24-17-26-23-16-7-6-14-22(23)25(24)21-15-8-10-18-9-4-5-13-20(18)21/h1-17H
InChIKeyAUAUGFDHWCFHMS-UHFFFAOYSA-N
MW395.48 g/mol
LogP5.89
Rot. Bonds3

About 3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline

3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline (PubChem CID 164578295) has the molecular formula C25H17NO2S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline
PubChem CID164578295
Molecular FormulaC25H17NO2S
Molecular Weight395.48 g/mol
Exact Mass395.10
IUPAC Name3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline
SMILESO=S(=O)(c1ccccc1)c1cnc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C25H17NO2S/c27-29(28,19-11-2-1-3-12-19)24-17-26-23-16-7-6-14-22(23)25(24)21-15-8-10-18-9-4-5-13-20(18)21/h1-17H
InChIKeyAUAUGFDHWCFHMS-UHFFFAOYSA-N
XLogP5.89
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)quinoline
CID 170993168
4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine
CID 7184158
7,12-bis(2-naphthalen-1-ylphenyl)benzo[j]phenanthridine
CID 59182859
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-phenylbenzo[j]phenanthridine
CID 59184043
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
9-naphthalen-1-ylacridin-3-ol
CID 136705128
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
7,12-bis(4-naphthalen-1-ylphenyl)benzo[j]phenanthridine
CID 59183884
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
5-(benzenesulfonyl)-4-(2-chlorophenyl)-2-methylpyrimidine
CID 1488342
3-(benzenesulfonyl)-6-chloro-N,N-diethylquinolin-4-amine
CID 7184184
1,2-bis(benzenesulfonyl)benzene
CID 19980733

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline?
The IUPAC name of 3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline (CID 164578295) is 3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline.
What is the SMILES notation for 3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline?
The canonical SMILES for 3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline is O=S(=O)(c1ccccc1)c1cnc2ccccc2c1-c1cccc2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline?
The InChIKey is AUAUGFDHWCFHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO2S/c27-29(28,19-11-2-1-3-12-19)24-17-26-23-16-7-6-14-22(23)25(24)21-15-8-10-18-9-4-5-13-20(18)21/h1-17H.
What are the key properties of 3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline?
3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline has a molecular weight of 395.48 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline is sourced from PubChem (CID 164578295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).