3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide

C11H13BrN2O3S — CID 94798825

IUPAC3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCN1C[C@@H](NS(=O)(=O)c2cccc(Br)c2)CC1=O
InChIInChI=1S/C11H13BrN2O3S/c1-14-7-9(6-11(14)15)13-18(16,17)10-4-2-3-8(12)5-10/h2-5,9,13H,6-7H2,1H3/t9-/m0/s1
InChIKeyFZLWUZOJQFRUBM-VIFPVBQESA-N
MW333.21 g/mol
LogP0.96
Rot. Bonds3

About 3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide

3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 94798825) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is 3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID94798825
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESCN1C[C@@H](NS(=O)(=O)c2cccc(Br)c2)CC1=O
InChIInChI=1S/C11H13BrN2O3S/c1-14-7-9(6-11(14)15)13-18(16,17)10-4-2-3-8(12)5-10/h2-5,9,13H,6-7H2,1H3/t9-/m0/s1
InChIKeyFZLWUZOJQFRUBM-VIFPVBQESA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736572
4-(2,3-dimethoxyphenyl)-3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 171386854
N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide
CID 62314743
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357259
4-[(3-bromophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809051
1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide
CID 131936491
N-(azepan-4-yl)-3-bromobenzenesulfonamide
CID 107172896
3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95101436
2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736595
3-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzenesulfonamide
CID 51121937

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide (CID 94798825) is 3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide is CN1C[C@@H](NS(=O)(=O)c2cccc(Br)c2)CC1=O.
What is the InChIKey of 3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is FZLWUZOJQFRUBM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c1-14-7-9(6-11(14)15)13-18(16,17)10-4-2-3-8(12)5-10/h2-5,9,13H,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide?
3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 333.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 94798825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).