[1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C16H16ClNO4S — CID 168672580

IUPAC[1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1C(c1ccccc1)c1ccco1
InChIInChI=1S/C16H16ClNO4S/c17-23(20,21)11-12-9-15(19)18(10-12)16(14-7-4-8-22-14)13-5-2-1-3-6-13/h1-8,12,16H,9-11H2
InChIKeyLDYISKIMRSITNV-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.79
Rot. Bonds5

About [1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168672580) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is [1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168672580
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name[1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1C(c1ccccc1)c1ccco1
InChIInChI=1S/C16H16ClNO4S/c17-23(20,21)11-12-9-15(19)18(10-12)16(14-7-4-8-22-14)13-5-2-1-3-6-13/h1-8,12,16H,9-11H2
InChIKeyLDYISKIMRSITNV-UHFFFAOYSA-N
XLogP2.79
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672570
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 84701616
[1-[1-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672553
[5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672520
[1-(2-methyl-1-pyridin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672467
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride
CID 168672525
[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672548
[5-oxo-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674879
[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674598
[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673658
4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one
CID 168661723
1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
CID 168718070

Frequently Asked Questions

What is the IUPAC name of [1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168672580) is [1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1C(c1ccccc1)c1ccco1.
What is the InChIKey of [1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is LDYISKIMRSITNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c17-23(20,21)11-12-9-15(19)18(10-12)16(14-7-4-8-22-14)13-5-2-1-3-6-13/h1-8,12,16H,9-11H2.
What are the key properties of [1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 353.83 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168672580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).