1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

C11H11ClFNO3S — CID 168711852

IUPAC1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCc1cc(F)cc(N2CC(S(=O)(=O)Cl)CC2=O)c1
InChIInChI=1S/C11H11ClFNO3S/c1-7-2-8(13)4-9(3-7)14-6-10(5-11(14)15)18(12,16)17/h2-4,10H,5-6H2,1H3
InChIKeyUCPCWPJHNNSJIV-UHFFFAOYSA-N
MW291.73 g/mol
LogP1.81
Rot. Bonds2

About 1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711852) has the molecular formula C11H11ClFNO3S and a molecular weight of 291.73 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711852
Molecular FormulaC11H11ClFNO3S
Molecular Weight291.73 g/mol
Exact Mass291.01
IUPAC Name1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCc1cc(F)cc(N2CC(S(=O)(=O)Cl)CC2=O)c1
InChIInChI=1S/C11H11ClFNO3S/c1-7-2-8(13)4-9(3-7)14-6-10(5-11(14)15)18(12,16)17/h2-4,10H,5-6H2,1H3
InChIKeyUCPCWPJHNNSJIV-UHFFFAOYSA-N
XLogP1.81
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715941
1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711863
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735
1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712325
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792
1-(4-cyano-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712437
1-(2-bromo-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711701
1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711499
1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711758
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711852) is 1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is Cc1cc(F)cc(N2CC(S(=O)(=O)Cl)CC2=O)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is UCPCWPJHNNSJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3S/c1-7-2-8(13)4-9(3-7)14-6-10(5-11(14)15)18(12,16)17/h2-4,10H,5-6H2,1H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 291.73 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).