quinolin-8-yl 4-iodobenzenesulfonate

C15H10INO3S — CID 2295266

IUPACquinolin-8-yl 4-iodobenzenesulfonate
SMILESO=S(=O)(Oc1cccc2cccnc12)c1ccc(I)cc1
InChIInChI=1S/C15H10INO3S/c16-12-6-8-13(9-7-12)21(18,19)20-14-5-1-3-11-4-2-10-17-15(11)14/h1-10H
InChIKeyWIULRQKYNXOFJM-UHFFFAOYSA-N
MW411.22 g/mol
LogP3.61
Rot. Bonds3

About quinolin-8-yl 4-iodobenzenesulfonate

quinolin-8-yl 4-iodobenzenesulfonate (PubChem CID 2295266) has the molecular formula C15H10INO3S and a molecular weight of 411.22 g/mol. Its IUPAC name is quinolin-8-yl 4-iodobenzenesulfonate.

Molecular Properties

Compound Namequinolin-8-yl 4-iodobenzenesulfonate
PubChem CID2295266
Molecular FormulaC15H10INO3S
Molecular Weight411.22 g/mol
Exact Mass410.94
IUPAC Namequinolin-8-yl 4-iodobenzenesulfonate
SMILESO=S(=O)(Oc1cccc2cccnc12)c1ccc(I)cc1
InChIInChI=1S/C15H10INO3S/c16-12-6-8-13(9-7-12)21(18,19)20-14-5-1-3-11-4-2-10-17-15(11)14/h1-10H
InChIKeyWIULRQKYNXOFJM-UHFFFAOYSA-N
XLogP3.61
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

quinolin-8-yl 2,6-difluorobenzenesulfonate
CID 30325132
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
quinolin-8-yl 5-methylthiophene-2-sulfonate
CID 39791990
quinolin-8-yl 2,3-dimethyl-5-nitrobenzenesulfonate
CID 26526896
8-(4-methylsulfonylphenoxy)quinoline
CID 11220281
quinolin-8-yl 2-methyl-4-nitrobenzenesulfonate
CID 37476858
(2-methoxyphenyl) quinoline-8-sulfonate
CID 15944591
quinolin-8-yl 5-bromo-2-ethoxybenzenesulfonate
CID 26945835
oxo(quinolin-8-yloxy)borane
CID 54325003
(2-methylquinolin-8-yl) pyridine-3-sulfonate
CID 60548894
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
tri(quinolin-8-yloxy)alumane
CID 16683111

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 4-iodobenzenesulfonate?
The IUPAC name of quinolin-8-yl 4-iodobenzenesulfonate (CID 2295266) is quinolin-8-yl 4-iodobenzenesulfonate.
What is the SMILES notation for quinolin-8-yl 4-iodobenzenesulfonate?
The canonical SMILES for quinolin-8-yl 4-iodobenzenesulfonate is O=S(=O)(Oc1cccc2cccnc12)c1ccc(I)cc1.
What is the InChIKey of quinolin-8-yl 4-iodobenzenesulfonate?
The InChIKey is WIULRQKYNXOFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10INO3S/c16-12-6-8-13(9-7-12)21(18,19)20-14-5-1-3-11-4-2-10-17-15(11)14/h1-10H.
What are the key properties of quinolin-8-yl 4-iodobenzenesulfonate?
quinolin-8-yl 4-iodobenzenesulfonate has a molecular weight of 411.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 4-iodobenzenesulfonate is sourced from PubChem (CID 2295266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).