[1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C13H11ClFN3O3S — CID 168677864

IUPAC[1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1ncc2c(Cl)cccc2n1
InChIInChI=1S/C13H11ClFN3O3S/c14-10-2-1-3-11-9(10)5-16-13(17-11)18-6-8(4-12(18)19)7-22(15,20)21/h1-3,5,8H,4,6-7H2
InChIKeyGPKHYBVGUNYOGF-UHFFFAOYSA-N
MW343.77 g/mol
LogP1.94
Rot. Bonds3

About [1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677864) has the molecular formula C13H11ClFN3O3S and a molecular weight of 343.77 g/mol. Its IUPAC name is [1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677864
Molecular FormulaC13H11ClFN3O3S
Molecular Weight343.77 g/mol
Exact Mass343.02
IUPAC Name[1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1ncc2c(Cl)cccc2n1
InChIInChI=1S/C13H11ClFN3O3S/c14-10-2-1-3-11-9(10)5-16-13(17-11)18-6-8(4-12(18)19)7-22(15,20)21/h1-3,5,8H,4,6-7H2
InChIKeyGPKHYBVGUNYOGF-UHFFFAOYSA-N
XLogP1.94
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one
CID 168509673
[1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677345
1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509672
[1-(8-chloronaphthalen-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677454
[1-(2-chloro-6-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676191
(5-oxo-1-quinolin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677584
[1-(6-bromo-1,2,4-triazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677351
[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
[1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676738
(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674576
[1-(5-chloro-3-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676808
[1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676295

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677864) is [1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1ncc2c(Cl)cccc2n1.
What is the InChIKey of [1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is GPKHYBVGUNYOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O3S/c14-10-2-1-3-11-9(10)5-16-13(17-11)18-6-8(4-12(18)19)7-22(15,20)21/h1-3,5,8H,4,6-7H2.
What are the key properties of [1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 343.77 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloroquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).