4-(benzenesulfonyl)quinoline

C15H11NO2S — CID 170993168

IUPAC4-(benzenesulfonyl)quinoline
SMILESO=S(=O)(c1ccccc1)c1ccnc2ccccc12
InChIInChI=1S/C15H11NO2S/c17-19(18,12-6-2-1-3-7-12)15-10-11-16-14-9-5-4-8-13(14)15/h1-11H
InChIKeyIXHXKJRSUMWCCM-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.07
Rot. Bonds2

About 4-(benzenesulfonyl)quinoline

4-(benzenesulfonyl)quinoline (PubChem CID 170993168) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(benzenesulfonyl)quinoline.

Molecular Properties

Compound Name4-(benzenesulfonyl)quinoline
PubChem CID170993168
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name4-(benzenesulfonyl)quinoline
SMILESO=S(=O)(c1ccccc1)c1ccnc2ccccc12
InChIInChI=1S/C15H11NO2S/c17-19(18,12-6-2-1-3-7-12)15-10-11-16-14-9-5-4-8-13(14)15/h1-11H
InChIKeyIXHXKJRSUMWCCM-UHFFFAOYSA-N
XLogP3.07
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

quinoline-4-sulfonic acid;hydrochloride
CID 174805598
N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide
CID 142723873
ethyl quinoline-4-sulfonate
CID 152547858
1,2-bis(benzenesulfonyl)benzene
CID 19980733
3-(benzenesulfonyl)-4-naphthalen-1-ylquinoline
CID 164578295
2-(benzenesulfonyl)-3-quinolin-4-ylprop-2-enenitrile
CID 54401194
5-(1-methylpyrazol-4-yl)sulfonylquinoline
CID 135388000
2,3-bis(benzenesulfonyl)pyridine
CID 140663815
N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
CID 60515386
4-[3-(benzenesulfonyl)quinolin-4-yl]morpholine
CID 7184158
2,3-bis(benzenesulfonyl)quinoxaline
CID 6612515
3-(benzenesulfonyl)-2H-indazole
CID 22250312

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)quinoline?
The IUPAC name of 4-(benzenesulfonyl)quinoline (CID 170993168) is 4-(benzenesulfonyl)quinoline.
What is the SMILES notation for 4-(benzenesulfonyl)quinoline?
The canonical SMILES for 4-(benzenesulfonyl)quinoline is O=S(=O)(c1ccccc1)c1ccnc2ccccc12.
What is the InChIKey of 4-(benzenesulfonyl)quinoline?
The InChIKey is IXHXKJRSUMWCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-19(18,12-6-2-1-3-7-12)15-10-11-16-14-9-5-4-8-13(14)15/h1-11H.
What are the key properties of 4-(benzenesulfonyl)quinoline?
4-(benzenesulfonyl)quinoline has a molecular weight of 269.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)quinoline is sourced from PubChem (CID 170993168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).