1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H8ClF2NO3S — CID 168715941

IUPAC1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H8ClF2NO3S/c11-6-1-7(12)3-8(2-6)14-5-9(4-10(14)15)18(13,16)17/h1-3,9H,4-5H2
InChIKeyKTAJCWXOXFOHJD-UHFFFAOYSA-N
MW295.69 g/mol
LogP1.88
Rot. Bonds2

About 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715941) has the molecular formula C10H8ClF2NO3S and a molecular weight of 295.69 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715941
Molecular FormulaC10H8ClF2NO3S
Molecular Weight295.69 g/mol
Exact Mass294.99
IUPAC Name1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H8ClF2NO3S/c11-6-1-7(12)3-8(2-6)14-5-9(4-10(14)15)18(13,16)17/h1-3,9H,4-5H2
InChIKeyKTAJCWXOXFOHJD-UHFFFAOYSA-N
XLogP1.88
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715550
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715421
1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711852
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715381
3-chloro-5-fluoro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715157
5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715174
1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714211
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735
1-(3,4-dichloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715214
1-(5-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715708

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715941) is 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is KTAJCWXOXFOHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO3S/c11-6-1-7(12)3-8(2-6)14-5-9(4-10(14)15)18(13,16)17/h1-3,9H,4-5H2.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 295.69 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).