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

C14H11BrClNO3S — CID 168712717

IUPAC1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1cccc2c(Br)cccc12
InChIInChI=1S/C14H11BrClNO3S/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
InChIKeyAPAAIOQMYNWDHC-UHFFFAOYSA-N
MW388.67 g/mol
LogP3.28
Rot. Bonds2

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

1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712717) has the molecular formula C14H11BrClNO3S and a molecular weight of 388.67 g/mol. Its IUPAC name is 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712717
Molecular FormulaC14H11BrClNO3S
Molecular Weight388.67 g/mol
Exact Mass386.93
IUPAC Name1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1cccc2c(Br)cccc12
InChIInChI=1S/C14H11BrClNO3S/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
InChIKeyAPAAIOQMYNWDHC-UHFFFAOYSA-N
XLogP3.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.67
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715845
1-(5-bromonaphthalen-1-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663904
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
1-(2-bromo-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711701
1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712878
1-[2-(cyanomethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712705
1-[2-fluoro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712610
4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
CID 113384546
1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712530
1-(6-bromo-2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712539
1-[2-bromo-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712545
1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716060

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712717) is 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1cccc2c(Br)cccc12.
What is the InChIKey of 1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is APAAIOQMYNWDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO3S/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 chloride?
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 388.67 g/mol, XLogP of 3.28, 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 chloride is sourced from PubChem (CID 168712717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).