5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride

C11H9ClF3NO4S — CID 168712596

IUPAC5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H9ClF3NO4S/c12-21(18,19)7-5-10(17)16(6-7)8-3-1-2-4-9(8)20-11(13,14)15/h1-4,7H,5-6H2
InChIKeyXTQBLSUAXJEXIS-UHFFFAOYSA-N
MW343.71 g/mol
LogP2.26
Rot. Bonds3

About 5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride

5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride (PubChem CID 168712596) has the molecular formula C11H9ClF3NO4S and a molecular weight of 343.71 g/mol. Its IUPAC name is 5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride
PubChem CID168712596
Molecular FormulaC11H9ClF3NO4S
Molecular Weight343.71 g/mol
Exact Mass342.99
IUPAC Name5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H9ClF3NO4S/c12-21(18,19)7-5-10(17)16(6-7)8-3-1-2-4-9(8)20-11(13,14)15/h1-4,7H,5-6H2
InChIKeyXTQBLSUAXJEXIS-UHFFFAOYSA-N
XLogP2.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.71
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-fluoro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712610
5-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-sulfonamide
CID 168719005
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713791
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715679
1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712878
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712717
1-[2-(cyanomethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712705
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792
1-[2-bromo-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712545
5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712710
1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711997

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride (CID 168712596) is 5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1ccccc1OC(F)(F)F.
What is the InChIKey of 5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride?
The InChIKey is XTQBLSUAXJEXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO4S/c12-21(18,19)7-5-10(17)16(6-7)8-3-1-2-4-9(8)20-11(13,14)15/h1-4,7H,5-6H2.
What are the key properties of 5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride?
5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride has a molecular weight of 343.71 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).