[5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride

C10H9ClF3N3O3S — CID 168674351

IUPAC[5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C10H9ClF3N3O3S/c11-21(19,20)4-6-1-9(18)17(3-6)8-2-7(10(12,13)14)15-5-16-8/h2,5-6H,1,3-4H2
InChIKeyGWMBTLDCLZPHMJ-UHFFFAOYSA-N
MW343.71 g/mol
LogP1.42
Rot. Bonds3

About [5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride

[5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168674351) has the molecular formula C10H9ClF3N3O3S and a molecular weight of 343.71 g/mol. Its IUPAC name is [5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168674351
Molecular FormulaC10H9ClF3N3O3S
Molecular Weight343.71 g/mol
Exact Mass343.00
IUPAC Name[5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C10H9ClF3N3O3S/c11-21(19,20)4-6-1-9(18)17(3-6)8-2-7(10(12,13)14)15-5-16-8/h2,5-6H,1,3-4H2
InChIKeyGWMBTLDCLZPHMJ-UHFFFAOYSA-N
XLogP1.42
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.71
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride (CID 168674351) is [5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1c1cc(C(F)(F)F)ncn1.
What is the InChIKey of [5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is GWMBTLDCLZPHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O3S/c11-21(19,20)4-6-1-9(18)17(3-6)8-2-7(10(12,13)14)15-5-16-8/h2,5-6H,1,3-4H2.
What are the key properties of [5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride?
[5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 343.71 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168674351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).