5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride

C10H7Cl3FNO3S — CID 168715174

IUPAC5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H7Cl3FNO3S/c11-6-2-8(13)9(3-7(6)12)15-4-5(1-10(15)16)19(14,17)18/h2-3,5H,1,4H2
InChIKeyDACNCJSOXQVODS-UHFFFAOYSA-N
MW346.59 g/mol
LogP3.05
Rot. Bonds2

About 5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168715174) has the molecular formula C10H7Cl3FNO3S and a molecular weight of 346.59 g/mol. Its IUPAC name is 5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168715174
Molecular FormulaC10H7Cl3FNO3S
Molecular Weight346.59 g/mol
Exact Mass344.92
IUPAC Name5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H7Cl3FNO3S/c11-6-2-8(13)9(3-7(6)12)15-4-5(1-10(15)16)19(14,17)18/h2-3,5H,1,4H2
InChIKeyDACNCJSOXQVODS-UHFFFAOYSA-N
XLogP3.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715173
1-(4-bromo-5-chloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715203
1-(2-amino-5-chloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714295
1-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715207
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715550
1-(3,4-dichloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715214
1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716060
1-(4-bromo-5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715261
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715944
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716062
1-(6-chloro-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714532

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride (CID 168715174) is 5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is DACNCJSOXQVODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3FNO3S/c11-6-2-8(13)9(3-7(6)12)15-4-5(1-10(15)16)19(14,17)18/h2-3,5H,1,4H2.
What are the key properties of 5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 346.59 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).