[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H13BrN2O3S — CID 97297929

IUPAC[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H13BrN2O3S/c12-9-1-3-10(4-2-9)14-6-8(5-11(14)15)7-18(13,16)17/h1-4,8H,5-7H2,(H2,13,16,17)/t8-/m1/s1
InChIKeyCHYAVYRZFLNQAJ-MRVPVSSYSA-N
MW333.21 g/mol
LogP1.09
Rot. Bonds3

About [(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 97297929) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is [(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID97297929
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H13BrN2O3S/c12-9-1-3-10(4-2-9)14-6-8(5-11(14)15)7-18(13,16)17/h1-4,8H,5-7H2,(H2,13,16,17)/t8-/m1/s1
InChIKeyCHYAVYRZFLNQAJ-MRVPVSSYSA-N
XLogP1.09
TPSA80.47 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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[1-[4-(2-hydroxyethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683084
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681236
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682571
[1-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682499
[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681755
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793
[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680272
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 97297929) is [(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)C[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of [(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is CHYAVYRZFLNQAJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c12-9-1-3-10(4-2-9)14-6-8(5-11(14)15)7-18(13,16)17/h1-4,8H,5-7H2,(H2,13,16,17)/t8-/m1/s1.
What are the key properties of [(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 333.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 97297929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).