1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C14H11BrFNO3S — CID 168715845

IUPAC1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cccc2c(Br)cccc12
InChIInChI=1S/C14H11BrFNO3S/c15-12-5-1-4-11-10(12)3-2-6-13(11)17-8-9(7-14(17)18)21(16,19)20/h1-6,9H,7-8H2
InChIKeyWVCVAPNCCXYOKI-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.01
Rot. Bonds2

About 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715845) has the molecular formula C14H11BrFNO3S and a molecular weight of 372.22 g/mol. Its IUPAC name is 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715845
Molecular FormulaC14H11BrFNO3S
Molecular Weight372.22 g/mol
Exact Mass370.96
IUPAC Name1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cccc2c(Br)cccc12
InChIInChI=1S/C14H11BrFNO3S/c15-12-5-1-4-11-10(12)3-2-6-13(11)17-8-9(7-14(17)18)21(16,19)20/h1-6,9H,7-8H2
InChIKeyWVCVAPNCCXYOKI-UHFFFAOYSA-N
XLogP3.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712717
1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716060
1-(5-bromonaphthalen-1-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663904
1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715621
1-(2-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715135
1-(4-bromo-2,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715173
1-[2-methyl-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714471
1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714278
1-[2-(cyanomethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715818
1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716062
1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715672
1-(4-bromo-5-chloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715203

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715845) is 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cccc2c(Br)cccc12.
What is the InChIKey of 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is WVCVAPNCCXYOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3S/c15-12-5-1-4-11-10(12)3-2-6-13(11)17-8-9(7-14(17)18)21(16,19)20/h1-6,9H,7-8H2.
What are the key properties of 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 372.22 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).