1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C9H9ClFN3O3S — CID 168715947

IUPAC1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNc1cc(Cl)cnc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H9ClFN3O3S/c10-5-1-7(12)9(13-3-5)14-4-6(2-8(14)15)18(11,16)17/h1,3,6H,2,4,12H2
InChIKeyFVNCSOOSUZNLHW-UHFFFAOYSA-N
MW293.71 g/mol
LogP0.72
Rot. Bonds2

About 1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715947) has the molecular formula C9H9ClFN3O3S and a molecular weight of 293.71 g/mol. Its IUPAC name is 1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715947
Molecular FormulaC9H9ClFN3O3S
Molecular Weight293.71 g/mol
Exact Mass293.00
IUPAC Name1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNc1cc(Cl)cnc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H9ClFN3O3S/c10-5-1-7(12)9(13-3-5)14-4-6(2-8(14)15)18(11,16)17/h1,3,6H,2,4,12H2
InChIKeyFVNCSOOSUZNLHW-UHFFFAOYSA-N
XLogP0.72
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677543
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715944
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715768
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718581
1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715376
1-(4-bromo-6-chloropyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715793
1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715776
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715550
1-(5-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715708

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715947) is 1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is Nc1cc(Cl)cnc1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is FVNCSOOSUZNLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3O3S/c10-5-1-7(12)9(13-3-5)14-4-6(2-8(14)15)18(11,16)17/h1,3,6H,2,4,12H2.
What are the key properties of 1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 293.71 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).