2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine

C11H15ClN2O2S — CID 79183789

IUPAC2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine
SMILESCC1CN(S(=O)(=O)c2ccnc(Cl)c2)CC1C
InChIInChI=1S/C11H15ClN2O2S/c1-8-6-14(7-9(8)2)17(15,16)10-3-4-13-11(12)5-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyXPSIRCINJDKHDK-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.01
Rot. Bonds2

About 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine

2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine (PubChem CID 79183789) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine
PubChem CID79183789
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine
SMILESCC1CN(S(=O)(=O)c2ccnc(Cl)c2)CC1C
InChIInChI=1S/C11H15ClN2O2S/c1-8-6-14(7-9(8)2)17(15,16)10-3-4-13-11(12)5-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyXPSIRCINJDKHDK-UHFFFAOYSA-N
XLogP2.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine (CID 79183789) is 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine is CC1CN(S(=O)(=O)c2ccnc(Cl)c2)CC1C.
What is the InChIKey of 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine?
The InChIKey is XPSIRCINJDKHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-8-6-14(7-9(8)2)17(15,16)10-3-4-13-11(12)5-10/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine?
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine has a molecular weight of 274.77 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 79183789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).