1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride

C12H13Cl2NO3S — CID 168712089

IUPAC1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1CCc1ccccc1Cl
InChIInChI=1S/C12H13Cl2NO3S/c13-11-4-2-1-3-9(11)5-6-15-8-10(7-12(15)16)19(14,17)18/h1-4,10H,5-8H2
InChIKeyXZOJCTRMNGQDPQ-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride

1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712089) has the molecular formula C12H13Cl2NO3S and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712089
Molecular FormulaC12H13Cl2NO3S
Molecular Weight322.21 g/mol
Exact Mass321.00
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1CCc1ccccc1Cl
InChIInChI=1S/C12H13Cl2NO3S/c13-11-4-2-1-3-9(11)5-6-15-8-10(7-12(15)16)19(14,17)18/h1-4,10H,5-8H2
InChIKeyXZOJCTRMNGQDPQ-UHFFFAOYSA-N
XLogP2.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711540
1-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712216
1-[2-(2-chlorophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501653
1-[2-(2-chlorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670974
1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712116
1-[2-(2-bromophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714885
1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712228
1-[4-(N-methylanilino)butyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711332
1-[2-(3,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711550
1-[(2-chloro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711841
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163
1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712089) is 1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1CCc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is XZOJCTRMNGQDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3S/c13-11-4-2-1-3-9(11)5-6-15-8-10(7-12(15)16)19(14,17)18/h1-4,10H,5-8H2.
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride?
1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 322.21 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).