[1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C12H15BrN2O4S — CID 168681236

IUPAC[1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCOc1cc(Br)cc(N2CC(CS(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H15BrN2O4S/c1-19-11-4-9(13)3-10(5-11)15-6-8(2-12(15)16)7-20(14,17)18/h3-5,8H,2,6-7H2,1H3,(H2,14,17,18)
InChIKeyPZNYYSRJJANQSQ-UHFFFAOYSA-N
MW363.23 g/mol
LogP1.10
Rot. Bonds4

About [1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681236) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is [1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681236
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC Name[1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCOc1cc(Br)cc(N2CC(CS(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H15BrN2O4S/c1-19-11-4-9(13)3-10(5-11)15-6-8(2-12(15)16)7-20(14,17)18/h3-5,8H,2,6-7H2,1H3,(H2,14,17,18)
InChIKeyPZNYYSRJJANQSQ-UHFFFAOYSA-N
XLogP1.10
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-(3-bromo-5-methoxyphenyl)pyrrolidin-2-one
CID 82860333
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(2-cyano-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681150
[1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681216
[1-[4-methoxy-3-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681139
[1-(2-cyano-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681142
4-methoxy-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168681151
[1-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682499
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
N-[4-methoxy-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]phenyl]acetamide
CID 168680711

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681236) is [1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is COc1cc(Br)cc(N2CC(CS(N)(=O)=O)CC2=O)c1.
What is the InChIKey of [1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is PZNYYSRJJANQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c1-19-11-4-9(13)3-10(5-11)15-6-8(2-12(15)16)7-20(14,17)18/h3-5,8H,2,6-7H2,1H3,(H2,14,17,18).
What are the key properties of [1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 363.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).