2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline

C14H15ClN2O3S — CID 103532783

IUPAC2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline
SMILESCOC1CCN(S(=O)(=O)c2ccc3nc(Cl)ccc3c2)C1
InChIInChI=1S/C14H15ClN2O3S/c1-20-11-6-7-17(9-11)21(18,19)12-3-4-13-10(8-12)2-5-14(15)16-13/h2-5,8,11H,6-7,9H2,1H3
InChIKeyLFFNHENHFOPJMF-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.30
Rot. Bonds3

About 2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline

2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline (PubChem CID 103532783) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline
PubChem CID103532783
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline
SMILESCOC1CCN(S(=O)(=O)c2ccc3nc(Cl)ccc3c2)C1
InChIInChI=1S/C14H15ClN2O3S/c1-20-11-6-7-17(9-11)21(18,19)12-3-4-13-10(8-12)2-5-14(15)16-13/h2-5,8,11H,6-7,9H2,1H3
InChIKeyLFFNHENHFOPJMF-UHFFFAOYSA-N
XLogP2.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(3-methoxypyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 103538322
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine
CID 102957078
1-[3-(chloromethyl)-4-fluorophenyl]sulfonyl-3-methoxypyrrolidine
CID 103541203
2-methoxy-5-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531339
4-(3-methoxypyrrolidin-1-yl)sulfonyl-2-nitroaniline
CID 103535330
2-ethyl-5-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531318
1-[4-(3-chloropropoxy)phenyl]sulfonyl-3-methoxypyrrolidine
CID 103541193
2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine
CID 103541412

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline?
The IUPAC name of 2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline (CID 103532783) is 2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline.
What is the SMILES notation for 2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline?
The canonical SMILES for 2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline is COC1CCN(S(=O)(=O)c2ccc3nc(Cl)ccc3c2)C1.
What is the InChIKey of 2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline?
The InChIKey is LFFNHENHFOPJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-20-11-6-7-17(9-11)21(18,19)12-3-4-13-10(8-12)2-5-14(15)16-13/h2-5,8,11H,6-7,9H2,1H3.
What are the key properties of 2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline?
2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline has a molecular weight of 326.81 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline is sourced from PubChem (CID 103532783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).