[5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride

C11H10ClF3N2O3S — CID 168674565

IUPAC[5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H10ClF3N2O3S/c12-21(19,20)6-7-3-10(18)17(5-7)9-4-8(1-2-16-9)11(13,14)15/h1-2,4,7H,3,5-6H2
InChIKeyKRDPZQHOXQKJAJ-UHFFFAOYSA-N
MW342.73 g/mol
LogP2.02
Rot. Bonds3

About [5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride

[5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168674565) has the molecular formula C11H10ClF3N2O3S and a molecular weight of 342.73 g/mol. Its IUPAC name is [5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168674565
Molecular FormulaC11H10ClF3N2O3S
Molecular Weight342.73 g/mol
Exact Mass342.01
IUPAC Name[5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H10ClF3N2O3S/c12-21(19,20)6-7-3-10(18)17(5-7)9-4-8(1-2-16-9)11(13,14)15/h1-2,4,7H,3,5-6H2
InChIKeyKRDPZQHOXQKJAJ-UHFFFAOYSA-N
XLogP2.02
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.73
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride (CID 168674565) is [5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1c1cc(C(F)(F)F)ccn1.
What is the InChIKey of [5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is KRDPZQHOXQKJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O3S/c12-21(19,20)6-7-3-10(18)17(5-7)9-4-8(1-2-16-9)11(13,14)15/h1-2,4,7H,3,5-6H2.
What are the key properties of [5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride?
[5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 342.73 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168674565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).