1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide

C11H10BrN3O3S — CID 168719230

IUPAC1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESN#Cc1cc(Br)cc(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C11H10BrN3O3S/c12-8-1-7(5-13)2-9(3-8)15-6-10(4-11(15)16)19(14,17)18/h1-3,10H,4,6H2,(H2,14,17,18)
InChIKeyHDFHGYJXJCRCEL-UHFFFAOYSA-N
MW344.19 g/mol
LogP0.71
Rot. Bonds2

About 1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide

1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719230) has the molecular formula C11H10BrN3O3S and a molecular weight of 344.19 g/mol. Its IUPAC name is 1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719230
Molecular FormulaC11H10BrN3O3S
Molecular Weight344.19 g/mol
Exact Mass342.96
IUPAC Name1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESN#Cc1cc(Br)cc(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C11H10BrN3O3S/c12-8-1-7(5-13)2-9(3-8)15-6-10(4-11(15)16)19(14,17)18/h1-3,10H,4,6H2,(H2,14,17,18)
InChIKeyHDFHGYJXJCRCEL-UHFFFAOYSA-N
XLogP0.71
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719237
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(5-cyano-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717724
1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718905
1-(3-cyano-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717734
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716761
1-[3,5-bis(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719258
1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718643
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168719230) is 1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide is N#Cc1cc(Br)cc(N2CC(S(N)(=O)=O)CC2=O)c1.
What is the InChIKey of 1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is HDFHGYJXJCRCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3S/c12-8-1-7(5-13)2-9(3-8)15-6-10(4-11(15)16)19(14,17)18/h1-3,10H,4,6H2,(H2,14,17,18).
What are the key properties of 1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 344.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).