2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C10H11BrN2O3S — CID 55257523

IUPAC2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCCC2=O)cc1Br
InChIInChI=1S/C10H11BrN2O3S/c11-8-6-7(13-5-1-2-10(13)14)3-4-9(8)17(12,15)16/h3-4,6H,1-2,5H2,(H2,12,15,16)
InChIKeyDJXGXKDRZGCGSJ-UHFFFAOYSA-N
MW319.18 g/mol
LogP1.22
Rot. Bonds2

About 2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 55257523) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID55257523
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCCC2=O)cc1Br
InChIInChI=1S/C10H11BrN2O3S/c11-8-6-7(13-5-1-2-10(13)14)3-4-9(8)17(12,15)16/h3-4,6H,1-2,5H2,(H2,12,15,16)
InChIKeyDJXGXKDRZGCGSJ-UHFFFAOYSA-N
XLogP1.22
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-bromophenyl)piperidin-2-one
CID 82864557
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(3-bromo-4-fluorophenyl)azepan-2-one
CID 104779696
2-bromo-4-(2-oxopiperidin-1-yl)benzenecarbothioamide
CID 112736135
1-(3-amino-4-bromophenyl)azetidin-2-one
CID 107342133
2-hydroxy-5-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 167788277
2-hydroxy-4-(2-oxopyrrolidin-1-yl)benzoic acid
CID 5210283
(2,3,6-trimethylphenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 60591526
N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 47081376
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
naphthalen-2-yl 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 52769070

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 55257523) is 2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCCC2=O)cc1Br.
What is the InChIKey of 2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is DJXGXKDRZGCGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c11-8-6-7(13-5-1-2-10(13)14)3-4-9(8)17(12,15)16/h3-4,6H,1-2,5H2,(H2,12,15,16).
What are the key properties of 2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 319.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 55257523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).