[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C15H20ClNO4S — CID 168672548

IUPAC[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCCOc1ccccc1C(C)N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C15H20ClNO4S/c1-3-21-14-7-5-4-6-13(14)11(2)17-9-12(8-15(17)18)10-22(16,19)20/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyMKOJOTLCPPEHFO-UHFFFAOYSA-N
MW345.85 g/mol
LogP2.56
Rot. Bonds6

About [1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168672548) has the molecular formula C15H20ClNO4S and a molecular weight of 345.85 g/mol. Its IUPAC name is [1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168672548
Molecular FormulaC15H20ClNO4S
Molecular Weight345.85 g/mol
Exact Mass345.08
IUPAC Name[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCCOc1ccccc1C(C)N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C15H20ClNO4S/c1-3-21-14-7-5-4-6-13(14)11(2)17-9-12(8-15(17)18)10-22(16,19)20/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyMKOJOTLCPPEHFO-UHFFFAOYSA-N
XLogP2.56
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168686960
4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168683636
[5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672520
[1-[1-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672553
1-[1-(2-methoxyphenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669244
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 84701616
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride
CID 168672525
[1-(2-methyl-1-pyridin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672467
[1-[1-(2,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680227
[1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672570
[1-[1-(2,5-difluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674739
1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine
CID 65244316

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168672548) is [1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is CCOc1ccccc1C(C)N1CC(CS(=O)(=O)Cl)CC1=O.
What is the InChIKey of [1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is MKOJOTLCPPEHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4S/c1-3-21-14-7-5-4-6-13(14)11(2)17-9-12(8-15(17)18)10-22(16,19)20/h4-7,11-12H,3,8-10H2,1-2H3.
What are the key properties of [1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 345.85 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168672548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).