1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide

C12H15ClN2O5S — CID 168717358

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1cc(OC)c(N2CC(S(N)(=O)=O)CC2=O)cc1Cl
InChIInChI=1S/C12H15ClN2O5S/c1-19-10-5-11(20-2)9(4-8(10)13)15-6-7(3-12(15)16)21(14,17)18/h4-5,7H,3,6H2,1-2H3,(H2,14,17,18)
InChIKeyAXWBRAMZHBZYER-UHFFFAOYSA-N
MW334.78 g/mol
LogP0.75
Rot. Bonds4

About 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717358) has the molecular formula C12H15ClN2O5S and a molecular weight of 334.78 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717358
Molecular FormulaC12H15ClN2O5S
Molecular Weight334.78 g/mol
Exact Mass334.04
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1cc(OC)c(N2CC(S(N)(=O)=O)CC2=O)cc1Cl
InChIInChI=1S/C12H15ClN2O5S/c1-19-10-5-11(20-2)9(4-8(10)13)15-6-7(3-12(15)16)21(14,17)18/h4-5,7H,3,6H2,1-2H3,(H2,14,17,18)
InChIKeyAXWBRAMZHBZYER-UHFFFAOYSA-N
XLogP0.75
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379
1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717626
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-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711460
1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717376
1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717383
1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717451
1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718951
(3S)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94075985
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717358) is 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide is COc1cc(OC)c(N2CC(S(N)(=O)=O)CC2=O)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is AXWBRAMZHBZYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O5S/c1-19-10-5-11(20-2)9(4-8(10)13)15-6-7(3-12(15)16)21(14,17)18/h4-5,7H,3,6H2,1-2H3,(H2,14,17,18).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 334.78 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).