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

C10H11BrN2O3S — CID 104696900

IUPAC2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESO=C1CC(NS(=O)(=O)c2ccccc2Br)CN1
InChIInChI=1S/C10H11BrN2O3S/c11-8-3-1-2-4-9(8)17(15,16)13-7-5-10(14)12-6-7/h1-4,7,13H,5-6H2,(H,12,14)
InChIKeyWTHGZXIQFHZJRG-UHFFFAOYSA-N
MW319.18 g/mol
LogP0.62
Rot. Bonds3

About 2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 104696900) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID104696900
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESO=C1CC(NS(=O)(=O)c2ccccc2Br)CN1
InChIInChI=1S/C10H11BrN2O3S/c11-8-3-1-2-4-9(8)17(15,16)13-7-5-10(14)12-6-7/h1-4,7,13H,5-6H2,(H,12,14)
InChIKeyWTHGZXIQFHZJRG-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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Related Compounds

2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 105056081
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154854
2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106180872
5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
CID 104696903
3-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106189206
4-bromo-2-nitro-N-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 97307622
5-amino-4-bromo-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181148
2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154874
N-(6-oxopiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684185
2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63661206
5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
CID 104696894
5-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181011

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 104696900) is 2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is O=C1CC(NS(=O)(=O)c2ccccc2Br)CN1.
What is the InChIKey of 2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is WTHGZXIQFHZJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c11-8-3-1-2-4-9(8)17(15,16)13-7-5-10(14)12-6-7/h1-4,7,13H,5-6H2,(H,12,14).
What are the key properties of 2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
2-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 2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 104696900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).