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

C10H12ClNO4S — CID 168712116

IUPAC1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1CCc1ccco1
InChIInChI=1S/C10H12ClNO4S/c11-17(14,15)9-6-10(13)12(7-9)4-3-8-2-1-5-16-8/h1-2,5,9H,3-4,6-7H2
InChIKeyNRKYSFRTXUJWQR-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.99
Rot. Bonds4

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

1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712116) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712116
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1CCc1ccco1
InChIInChI=1S/C10H12ClNO4S/c11-17(14,15)9-6-10(13)12(7-9)4-3-8-2-1-5-16-8/h1-2,5,9H,3-4,6-7H2
InChIKeyNRKYSFRTXUJWQR-UHFFFAOYSA-N
XLogP0.99
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712089
1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711540
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712077
1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163
1-[(2,3-dichlorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712216
5-oxo-1-(quinolin-4-ylmethyl)pyrrolidine-3-sulfonyl chloride
CID 168712231
[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682162
1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719472
1-[4-(N-methylanilino)butyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711332
1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711428
1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712228

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712116) is 1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1CCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is NRKYSFRTXUJWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c11-17(14,15)9-6-10(13)12(7-9)4-3-8-2-1-5-16-8/h1-2,5,9H,3-4,6-7H2.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride?
1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 277.73 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).