[1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C16H13ClN2O4S — CID 168674279

IUPAC[1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESN#Cc1cc(-c2ccccc2)oc1N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C16H13ClN2O4S/c17-24(21,22)10-11-6-15(20)19(9-11)16-13(8-18)7-14(23-16)12-4-2-1-3-5-12/h1-5,7,11H,6,9-10H2
InChIKeyAQADSUGMOHSHCW-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.74
Rot. Bonds4

About [1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168674279) has the molecular formula C16H13ClN2O4S and a molecular weight of 364.81 g/mol. Its IUPAC name is [1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168674279
Molecular FormulaC16H13ClN2O4S
Molecular Weight364.81 g/mol
Exact Mass364.03
IUPAC Name[1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESN#Cc1cc(-c2ccccc2)oc1N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C16H13ClN2O4S/c17-24(21,22)10-11-6-15(20)19(9-11)16-13(8-18)7-14(23-16)12-4-2-1-3-5-12/h1-5,7,11H,6,9-10H2
InChIKeyAQADSUGMOHSHCW-UHFFFAOYSA-N
XLogP2.74
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695010
[1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673870
[1-(4-chloro-2-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674147
[1-(3-cyano-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673108
[1-(2-cyano-4-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674167
[1-(2-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677255
[5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674483
[1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676738
methyl 4-[4-(chlorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-cyanobenzoate
CID 168672958
(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674576
[1-(2-bromo-3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677282
[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674598

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168674279) is [1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is N#Cc1cc(-c2ccccc2)oc1N1CC(CS(=O)(=O)Cl)CC1=O.
What is the InChIKey of [1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is AQADSUGMOHSHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4S/c17-24(21,22)10-11-6-15(20)19(9-11)16-13(8-18)7-14(23-16)12-4-2-1-3-5-12/h1-5,7,11H,6,9-10H2.
What are the key properties of [1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 364.81 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168674279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).