1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide

C12H15BrN2O4S — CID 168717626

IUPAC1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1cc(Br)c(C)cc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C12H15BrN2O4S/c1-7-3-10(11(19-2)5-9(7)13)15-6-8(4-12(15)16)20(14,17)18/h3,5,8H,4,6H2,1-2H3,(H2,14,17,18)
InChIKeyOOUWSORSFDMXQQ-UHFFFAOYSA-N
MW363.23 g/mol
LogP1.16
Rot. Bonds3

About 1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717626) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717626
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC Name1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1cc(Br)c(C)cc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C12H15BrN2O4S/c1-7-3-10(11(19-2)5-9(7)13)15-6-8(4-12(15)16)20(14,17)18/h3,5,8H,4,6H2,1-2H3,(H2,14,17,18)
InChIKeyOOUWSORSFDMXQQ-UHFFFAOYSA-N
XLogP1.16
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717353
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717358
1-(4-bromo-2-methoxy-5-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688031
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717376
1-(4-bromo-5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717371
1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717628
1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717383
1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717703
1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717451

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717626) is 1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide is COc1cc(Br)c(C)cc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is OOUWSORSFDMXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c1-7-3-10(11(19-2)5-9(7)13)15-6-8(4-12(15)16)20(14,17)18/h3,5,8H,4,6H2,1-2H3,(H2,14,17,18).
What are the key properties of 1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 363.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).