quinolin-8-yl 5-methylthiophene-2-sulfonate

C14H11NO3S2 — CID 39791990

IUPACquinolin-8-yl 5-methylthiophene-2-sulfonate
SMILESCc1ccc(S(=O)(=O)Oc2cccc3cccnc23)s1
InChIInChI=1S/C14H11NO3S2/c1-10-7-8-13(19-10)20(16,17)18-12-6-2-4-11-5-3-9-15-14(11)12/h2-9H,1H3
InChIKeyQRILZIGWUWUSDY-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.37
Rot. Bonds3

About quinolin-8-yl 5-methylthiophene-2-sulfonate

quinolin-8-yl 5-methylthiophene-2-sulfonate (PubChem CID 39791990) has the molecular formula C14H11NO3S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is quinolin-8-yl 5-methylthiophene-2-sulfonate.

Molecular Properties

Compound Namequinolin-8-yl 5-methylthiophene-2-sulfonate
PubChem CID39791990
Molecular FormulaC14H11NO3S2
Molecular Weight305.38 g/mol
Exact Mass305.02
IUPAC Namequinolin-8-yl 5-methylthiophene-2-sulfonate
SMILESCc1ccc(S(=O)(=O)Oc2cccc3cccnc23)s1
InChIInChI=1S/C14H11NO3S2/c1-10-7-8-13(19-10)20(16,17)18-12-6-2-4-11-5-3-9-15-14(11)12/h2-9H,1H3
InChIKeyQRILZIGWUWUSDY-UHFFFAOYSA-N
XLogP3.37
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

quinolin-8-yl 2,6-difluorobenzenesulfonate
CID 30325132
quinolin-8-yl 4-iodobenzenesulfonate
CID 2295266
quinolin-8-yl 2,3-dimethyl-5-nitrobenzenesulfonate
CID 26526896
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
(2-methylquinolin-8-yl) 8-methylquinoline-5-sulfonate
CID 52565528
quinolin-8-yl 3-chlorobut-2-ene-1-sulfonate
CID 165356220
5-ethyl-N-(3-quinolin-8-yloxypropyl)thiophene-2-sulfonamide
CID 56574545
8-(4-methylsulfonylphenoxy)quinoline
CID 11220281
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide
CID 104826570
oxo(quinolin-8-yloxy)borane
CID 54325003

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 5-methylthiophene-2-sulfonate?
The IUPAC name of quinolin-8-yl 5-methylthiophene-2-sulfonate (CID 39791990) is quinolin-8-yl 5-methylthiophene-2-sulfonate.
What is the SMILES notation for quinolin-8-yl 5-methylthiophene-2-sulfonate?
The canonical SMILES for quinolin-8-yl 5-methylthiophene-2-sulfonate is Cc1ccc(S(=O)(=O)Oc2cccc3cccnc23)s1.
What is the InChIKey of quinolin-8-yl 5-methylthiophene-2-sulfonate?
The InChIKey is QRILZIGWUWUSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S2/c1-10-7-8-13(19-10)20(16,17)18-12-6-2-4-11-5-3-9-15-14(11)12/h2-9H,1H3.
What are the key properties of quinolin-8-yl 5-methylthiophene-2-sulfonate?
quinolin-8-yl 5-methylthiophene-2-sulfonate has a molecular weight of 305.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 5-methylthiophene-2-sulfonate is sourced from PubChem (CID 39791990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).