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

C10H10FNO6S — CID 168713987

IUPACmethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(N2CC(S(=O)(=O)F)CC2=O)o1
InChIInChI=1S/C10H10FNO6S/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
InChIKeySKAOVZSUWJIBNW-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.47
Rot. Bonds3

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

methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate (PubChem CID 168713987) has the molecular formula C10H10FNO6S and a molecular weight of 291.26 g/mol. Its IUPAC name is methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate
PubChem CID168713987
Molecular FormulaC10H10FNO6S
Molecular Weight291.26 g/mol
Exact Mass291.02
IUPAC Namemethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(N2CC(S(=O)(=O)F)CC2=O)o1
InChIInChI=1S/C10H10FNO6S/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
InChIKeySKAOVZSUWJIBNW-UHFFFAOYSA-N
XLogP0.47
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate
CID 168711410
methyl 5-chloro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoate
CID 168713921
methyl 3-cyano-4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoate
CID 168713930
methyl 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate
CID 168714000
1-[4-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716006
4-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]butanoic acid
CID 168715999
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxybenzoic acid
CID 168714155
tert-butyl N-[4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)phenyl]carbamate
CID 168713501
1-[4-(2-methoxyethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714015
1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713846
ethyl 5-fluoro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoate
CID 168713737
1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716315

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate (CID 168713987) is methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate is COC(=O)c1ccc(N2CC(S(=O)(=O)F)CC2=O)o1.
What is the InChIKey of methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate?
The InChIKey is SKAOVZSUWJIBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO6S/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-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate?
methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate has a molecular weight of 291.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate is sourced from PubChem (CID 168713987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).