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

C10H9ClF3N3O3S — CID 168674566

IUPAC[5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H9ClF3N3O3S/c11-21(19,20)5-6-3-8(18)17(4-6)9-15-2-1-7(16-9)10(12,13)14/h1-2,6H,3-5H2
InChIKeyLYPSPMVYPLCEPL-UHFFFAOYSA-N
MW343.71 g/mol
LogP1.42
Rot. Bonds3

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

[5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168674566) has the molecular formula C10H9ClF3N3O3S and a molecular weight of 343.71 g/mol. Its IUPAC name is [5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168674566
Molecular FormulaC10H9ClF3N3O3S
Molecular Weight343.71 g/mol
Exact Mass343.00
IUPAC Name[5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H9ClF3N3O3S/c11-21(19,20)5-6-3-8(18)17(4-6)9-15-2-1-7(16-9)10(12,13)14/h1-2,6H,3-5H2
InChIKeyLYPSPMVYPLCEPL-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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Related Compounds

N-(1,1-dioxothiolan-3-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 2810898
3-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
CID 54497903
N-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 40483844
N-[(3S)-1,1-dioxothiolan-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 40483845
1-Ethyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
CID 45933467
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46518661
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46519168
1-[4-(Trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 60507589
1-{3-[4-(Trifluoromethyl)pyrimidin-2-yl]prop-2-yn-1-yl}pyrrolidin-2-one
CID 122242043
1-[2-[Methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]pyrrolidin-2-one
CID 132474648
1-Pyrrolidin-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
CID 133804280
1-Pyrrolidin-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one
CID 133804333

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride (CID 168674566) is [5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of [5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is LYPSPMVYPLCEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O3S/c11-21(19,20)5-6-3-8(18)17(4-6)9-15-2-1-7(16-9)10(12,13)14/h1-2,6H,3-5H2.
What are the key properties of [5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride?
[5-oxo-1-[4-(trifluoromethyl)pyrimidin-2-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-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168674566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).