(5-chloroquinolin-8-yl) methanesulfonate

C10H8ClNO3S — CID 86302357

IUPAC(5-chloroquinolin-8-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C10H8ClNO3S/c1-16(13,14)15-9-5-4-8(11)7-3-2-6-12-10(7)9/h2-6H,1H3
InChIKeyLAQXQWANWUTTTQ-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.23
Rot. Bonds2

About (5-chloroquinolin-8-yl) methanesulfonate

(5-chloroquinolin-8-yl) methanesulfonate (PubChem CID 86302357) has the molecular formula C10H8ClNO3S and a molecular weight of 257.70 g/mol. Its IUPAC name is (5-chloroquinolin-8-yl) methanesulfonate.

Molecular Properties

Compound Name(5-chloroquinolin-8-yl) methanesulfonate
PubChem CID86302357
Molecular FormulaC10H8ClNO3S
Molecular Weight257.70 g/mol
Exact Mass256.99
IUPAC Name(5-chloroquinolin-8-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C10H8ClNO3S/c1-16(13,14)15-9-5-4-8(11)7-3-2-6-12-10(7)9/h2-6H,1H3
InChIKeyLAQXQWANWUTTTQ-UHFFFAOYSA-N
XLogP2.23
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-chloroquinolin-8-yl) 3,4-dichlorobenzenesulfonate
CID 91669666
(5-chloroquinolin-8-yl) morpholine-4-sulfonate
CID 11841630
CID 12945983
CID 12945983
(5-chloroquinolin-8-yl) 5-bromo-2,4-dimethylbenzenesulfonate
CID 91669670
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
5-chloroquinoline-8-sulfonyl chloride
CID 4206949
(5-chloroquinolin-8-yl) pyridin-1-ium-4-carboxylate
CID 4741373
5-chloro-8-(6-chlorohexoxy)quinoline
CID 55193642
5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
(5-chloroquinolin-8-yl) N,N-diethylcarbamate
CID 712597
(2-methyl-3-pyridinyl) methanesulfonate
CID 119084020
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515

Frequently Asked Questions

What is the IUPAC name of (5-chloroquinolin-8-yl) methanesulfonate?
The IUPAC name of (5-chloroquinolin-8-yl) methanesulfonate (CID 86302357) is (5-chloroquinolin-8-yl) methanesulfonate.
What is the SMILES notation for (5-chloroquinolin-8-yl) methanesulfonate?
The canonical SMILES for (5-chloroquinolin-8-yl) methanesulfonate is CS(=O)(=O)Oc1ccc(Cl)c2cccnc12.
What is the InChIKey of (5-chloroquinolin-8-yl) methanesulfonate?
The InChIKey is LAQXQWANWUTTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S/c1-16(13,14)15-9-5-4-8(11)7-3-2-6-12-10(7)9/h2-6H,1H3.
What are the key properties of (5-chloroquinolin-8-yl) methanesulfonate?
(5-chloroquinolin-8-yl) methanesulfonate has a molecular weight of 257.70 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloroquinolin-8-yl) methanesulfonate is sourced from PubChem (CID 86302357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).