1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C11H10Cl2FNO3S — CID 168714245

IUPAC1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1ccc(Cl)c(N2CC(S(=O)(=O)F)CC2=O)c1Cl
InChIInChI=1S/C11H10Cl2FNO3S/c1-6-2-3-8(12)11(10(6)13)15-5-7(4-9(15)16)19(14,17)18/h2-3,7H,4-5H2,1H3
InChIKeyIHFOYFATAWAMIY-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.71
Rot. Bonds2

About 1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714245) has the molecular formula C11H10Cl2FNO3S and a molecular weight of 326.18 g/mol. Its IUPAC name is 1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714245
Molecular FormulaC11H10Cl2FNO3S
Molecular Weight326.18 g/mol
Exact Mass324.97
IUPAC Name1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1ccc(Cl)c(N2CC(S(=O)(=O)F)CC2=O)c1Cl
InChIInChI=1S/C11H10Cl2FNO3S/c1-6-2-3-8(12)11(10(6)13)15-5-7(4-9(15)16)19(14,17)18/h2-3,7H,4-5H2,1H3
InChIKeyIHFOYFATAWAMIY-UHFFFAOYSA-N
XLogP2.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715214
1-(6-chloroquinolin-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715288
1-(2-amino-5-chloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714295
5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715174
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715550
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3,5-dimethylbenzoic acid
CID 168714376
1-(6-chloro-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714532
1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715376
1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716060
1-(4-iodo-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714313
1-(3-cyano-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714406
3-chloro-5-fluoro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715157

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714245) is 1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1ccc(Cl)c(N2CC(S(=O)(=O)F)CC2=O)c1Cl.
What is the InChIKey of 1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is IHFOYFATAWAMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FNO3S/c1-6-2-3-8(12)11(10(6)13)15-5-7(4-9(15)16)19(14,17)18/h2-3,7H,4-5H2,1H3.
What are the key properties of 1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 326.18 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).