1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H9Cl2FN2O3S — CID 168715550

IUPAC1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNc1c(Cl)cc(N2CC(S(=O)(=O)F)CC2=O)cc1Cl
InChIInChI=1S/C10H9Cl2FN2O3S/c11-7-1-5(2-8(12)10(7)14)15-4-6(3-9(15)16)19(13,17)18/h1-2,6H,3-4,14H2
InChIKeyWIJPQLLGVQYUID-UHFFFAOYSA-N
MW327.16 g/mol
LogP1.98
Rot. Bonds2

About 1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715550) has the molecular formula C10H9Cl2FN2O3S and a molecular weight of 327.16 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715550
Molecular FormulaC10H9Cl2FN2O3S
Molecular Weight327.16 g/mol
Exact Mass325.97
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNc1c(Cl)cc(N2CC(S(=O)(=O)F)CC2=O)cc1Cl
InChIInChI=1S/C10H9Cl2FN2O3S/c11-7-1-5(2-8(12)10(7)14)15-4-6(3-9(15)16)19(13,17)18/h1-2,6H,3-4,14H2
InChIKeyWIJPQLLGVQYUID-UHFFFAOYSA-N
XLogP1.98
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715941
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899
5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715174
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(2-amino-5-chloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714295
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715421
1-(4-bromo-2,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715173
1-(5-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715708
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
1-(4-bromo-6-chloropyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715793
1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715947

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715550) is 1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is Nc1c(Cl)cc(N2CC(S(=O)(=O)F)CC2=O)cc1Cl.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is WIJPQLLGVQYUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FN2O3S/c11-7-1-5(2-8(12)10(7)14)15-4-6(3-9(15)16)19(13,17)18/h1-2,6H,3-4,14H2.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 327.16 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).