1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide

C12H16N2O3S — CID 168717870

IUPAC1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(C)cc(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H16N2O3S/c1-8-3-9(2)5-10(4-8)14-7-11(6-12(14)15)18(13,16)17/h3-5,11H,6-7H2,1-2H3,(H2,13,16,17)
InChIKeyYGHXVUSUTQKSRZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.70
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717870) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717870
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(C)cc(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H16N2O3S/c1-8-3-9(2)5-10(4-8)14-7-11(6-12(14)15)18(13,16)17/h3-5,11H,6-7H2,1-2H3,(H2,13,16,17)
InChIKeyYGHXVUSUTQKSRZ-UHFFFAOYSA-N
XLogP0.70
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-[3,5-bis(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719258
1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711852
1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717703
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(4-hydroxy-2,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717885
1-(3-cyano-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717734
1-(3-amino-2,4,6-trimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717612
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719237
1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716979

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717870) is 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide is Cc1cc(C)cc(N2CC(S(N)(=O)=O)CC2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is YGHXVUSUTQKSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8-3-9(2)5-10(4-8)14-7-11(6-12(14)15)18(13,16)17/h3-5,11H,6-7H2,1-2H3,(H2,13,16,17).
What are the key properties of 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).