(2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate

C17H13NO4S — CID 123352382

IUPAC(2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate
SMILESC=Cc1ccc(S(=O)(=O)On2c(=O)ccc3ccccc32)cc1
InChIInChI=1S/C17H13NO4S/c1-2-13-7-10-15(11-8-13)23(20,21)22-18-16-6-4-3-5-14(16)9-12-17(18)19/h2-12H,1H2
InChIKeyZGSJCPXEEUDKNX-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.46
Rot. Bonds4

About (2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate

(2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate (PubChem CID 123352382) has the molecular formula C17H13NO4S and a molecular weight of 327.36 g/mol. Its IUPAC name is (2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate.

Molecular Properties

Compound Name(2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate
PubChem CID123352382
Molecular FormulaC17H13NO4S
Molecular Weight327.36 g/mol
Exact Mass327.06
IUPAC Name(2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate
SMILESC=Cc1ccc(S(=O)(=O)On2c(=O)ccc3ccccc32)cc1
InChIInChI=1S/C17H13NO4S/c1-2-13-7-10-15(11-8-13)23(20,21)22-18-16-6-4-3-5-14(16)9-12-17(18)19/h2-12H,1H2
InChIKeyZGSJCPXEEUDKNX-UHFFFAOYSA-N
XLogP2.46
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;hydride;phenyl 4-ethenylbenzenesulfonate
CID 174943153
1-prop-1-enoxyquinolin-2-one
CID 70580898
2-(4-ethenylphenyl)sulfonylsulfonylnaphthalene
CID 23554017
ethenylsulfonyl 4-ethenylbenzenesulfonate
CID 57074743
(2-oxoquinolin-1-yl) acetate
CID 21299138
(5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate
CID 118409291
[(Z)-benzo[a]phenalen-7-ylideneamino] 4-ethenylbenzenesulfonate
CID 102121980
(4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate
CID 86126985
4-ethenoxybutyl 4-ethenylbenzenesulfonate
CID 20697219
4-ethenylbenzenesulfonate;tetraphenylphosphanium
CID 87934174
tert-butyl 2-[(4-ethenylphenyl)sulfonyloxymethyl]-2-methyl-3-naphthalen-2-yl-3-oxopropanoate
CID 22081751
zinc bis(4-ethenylbenzenesulfonate)
CID 22931380

Frequently Asked Questions

What is the IUPAC name of (2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate?
The IUPAC name of (2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate (CID 123352382) is (2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate.
What is the SMILES notation for (2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate?
The canonical SMILES for (2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate is C=Cc1ccc(S(=O)(=O)On2c(=O)ccc3ccccc32)cc1.
What is the InChIKey of (2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate?
The InChIKey is ZGSJCPXEEUDKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4S/c1-2-13-7-10-15(11-8-13)23(20,21)22-18-16-6-4-3-5-14(16)9-12-17(18)19/h2-12H,1H2.
What are the key properties of (2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate?
(2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate has a molecular weight of 327.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoquinolin-1-yl) 4-ethenylbenzenesulfonate is sourced from PubChem (CID 123352382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).