5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine

C10H11ClN2O2S — CID 156567055

IUPAC5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine
SMILESC=C1CCN(S(=O)(=O)c2ccc(Cl)cn2)C1
InChIInChI=1S/C10H11ClN2O2S/c1-8-4-5-13(7-8)16(14,15)10-3-2-9(11)6-12-10/h2-3,6H,1,4-5,7H2
InChIKeySRNRSZTXIYOPRC-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.69
Rot. Bonds2

About 5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine

5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine (PubChem CID 156567055) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine
PubChem CID156567055
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine
SMILESC=C1CCN(S(=O)(=O)c2ccc(Cl)cn2)C1
InChIInChI=1S/C10H11ClN2O2S/c1-8-4-5-13(7-8)16(14,15)10-3-2-9(11)6-12-10/h2-3,6H,1,4-5,7H2
InChIKeySRNRSZTXIYOPRC-UHFFFAOYSA-N
XLogP1.69
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine?
The IUPAC name of 5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine (CID 156567055) is 5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine?
The canonical SMILES for 5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine is C=C1CCN(S(=O)(=O)c2ccc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine?
The InChIKey is SRNRSZTXIYOPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-8-4-5-13(7-8)16(14,15)10-3-2-9(11)6-12-10/h2-3,6H,1,4-5,7H2.
What are the key properties of 5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine?
5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine has a molecular weight of 258.73 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 156567055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).