methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate

C10H10ClNO6S — CID 168711410

IUPACmethyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(N2CC(S(=O)(=O)Cl)CC2=O)o1
InChIInChI=1S/C10H10ClNO6S/c1-17-10(14)7-2-3-9(18-7)12-5-6(4-8(12)13)19(11,15)16/h2-3,6H,4-5H2,1H3
InChIKeyQHDOHXQORYCKPT-UHFFFAOYSA-N
MW307.71 g/mol
LogP0.74
Rot. Bonds3

About methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate

methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate (PubChem CID 168711410) has the molecular formula C10H10ClNO6S and a molecular weight of 307.71 g/mol. Its IUPAC name is methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate
PubChem CID168711410
Molecular FormulaC10H10ClNO6S
Molecular Weight307.71 g/mol
Exact Mass306.99
IUPAC Namemethyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(N2CC(S(=O)(=O)Cl)CC2=O)o1
InChIInChI=1S/C10H10ClNO6S/c1-17-10(14)7-2-3-9(18-7)12-5-6(4-8(12)13)19(11,15)16/h2-3,6H,4-5H2,1H3
InChIKeyQHDOHXQORYCKPT-UHFFFAOYSA-N
XLogP0.74
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate
CID 168713987
methyl 4-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)-3,5-dimethylbenzoate
CID 168711830
methyl 4-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)-3-nitrobenzoate
CID 168711370
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711498
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
methyl 5-chloro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoate
CID 168713921
1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711191
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712798
ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate
CID 168711221
methyl 4-chloro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717278

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate (CID 168711410) is methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate is COC(=O)c1ccc(N2CC(S(=O)(=O)Cl)CC2=O)o1.
What is the InChIKey of methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate?
The InChIKey is QHDOHXQORYCKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO6S/c1-17-10(14)7-2-3-9(18-7)12-5-6(4-8(12)13)19(11,15)16/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate?
methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate has a molecular weight of 307.71 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate is sourced from PubChem (CID 168711410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).