4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C10H11BrN2O3S — CID 71789124

IUPAC4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESO=C1CC(NS(=O)(=O)c2ccc(Br)cc2)CN1
InChIInChI=1S/C10H11BrN2O3S/c11-7-1-3-9(4-2-7)17(15,16)13-8-5-10(14)12-6-8/h1-4,8,13H,5-6H2,(H,12,14)
InChIKeyBJOKYEQXUOFTDM-UHFFFAOYSA-N
MW319.18 g/mol
LogP0.62
Rot. Bonds3

About 4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 71789124) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID71789124
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESO=C1CC(NS(=O)(=O)c2ccc(Br)cc2)CN1
InChIInChI=1S/C10H11BrN2O3S/c11-7-1-3-9(4-2-7)17(15,16)13-8-5-10(14)12-6-8/h1-4,8,13H,5-6H2,(H,12,14)
InChIKeyBJOKYEQXUOFTDM-UHFFFAOYSA-N
XLogP0.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 71789124) is 4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is O=C1CC(NS(=O)(=O)c2ccc(Br)cc2)CN1.
What is the InChIKey of 4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is BJOKYEQXUOFTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c11-7-1-3-9(4-2-7)17(15,16)13-8-5-10(14)12-6-8/h1-4,8,13H,5-6H2,(H,12,14).
What are the key properties of 4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 319.18 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 71789124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).