1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide

C11H13ClN2O4S — CID 168717379

IUPAC1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1cc(N2CC(S(N)(=O)=O)CC2=O)ccc1Cl
InChIInChI=1S/C11H13ClN2O4S/c1-18-10-4-7(2-3-9(10)12)14-6-8(5-11(14)15)19(13,16)17/h2-4,8H,5-6H2,1H3,(H2,13,16,17)
InChIKeyRMLRJMHMWQBFMY-UHFFFAOYSA-N
MW304.76 g/mol
LogP0.74
Rot. Bonds3

About 1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717379) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.76 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717379
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.76 g/mol
Exact Mass304.03
IUPAC Name1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1cc(N2CC(S(N)(=O)=O)CC2=O)ccc1Cl
InChIInChI=1S/C11H13ClN2O4S/c1-18-10-4-7(2-3-9(10)12)14-6-8(5-11(14)15)19(13,16)17/h2-4,8H,5-6H2,1H3,(H2,13,16,17)
InChIKeyRMLRJMHMWQBFMY-UHFFFAOYSA-N
XLogP0.74
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717358
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717376
methyl 2-fluoro-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717283
1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717383
methyl 2-bromo-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717280
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717379) is 1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide is COc1cc(N2CC(S(N)(=O)=O)CC2=O)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is RMLRJMHMWQBFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4S/c1-18-10-4-7(2-3-9(10)12)14-6-8(5-11(14)15)19(13,16)17/h2-4,8H,5-6H2,1H3,(H2,13,16,17).
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 304.76 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).