1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide

C11H12Cl2N2O3S — CID 168717575

IUPAC1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1c(Cl)cc(N2CC(S(N)(=O)=O)CC2=O)cc1Cl
InChIInChI=1S/C11H12Cl2N2O3S/c1-6-9(12)2-7(3-10(6)13)15-5-8(4-11(15)16)19(14,17)18/h2-3,8H,4-5H2,1H3,(H2,14,17,18)
InChIKeyHZOJDXOLHSPGPL-UHFFFAOYSA-N
MW323.20 g/mol
LogP1.70
Rot. Bonds2

About 1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717575) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717575
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC Name1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1c(Cl)cc(N2CC(S(N)(=O)=O)CC2=O)cc1Cl
InChIInChI=1S/C11H12Cl2N2O3S/c1-6-9(12)2-7(3-10(6)13)15-5-8(4-11(15)16)19(14,17)18/h2-3,8H,4-5H2,1H3,(H2,14,17,18)
InChIKeyHZOJDXOLHSPGPL-UHFFFAOYSA-N
XLogP1.70
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715550
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
1-[3,5-bis(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719258
1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
1-(3-amino-2,4,6-trimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717612
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717979
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718951
1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719230
1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719237

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717575) is 1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide is Cc1c(Cl)cc(N2CC(S(N)(=O)=O)CC2=O)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is HZOJDXOLHSPGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3S/c1-6-9(12)2-7(3-10(6)13)15-5-8(4-11(15)16)19(14,17)18/h2-3,8H,4-5H2,1H3,(H2,14,17,18).
What are the key properties of 1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 323.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).