4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid

C18H18N2O5S — CID 43971395

IUPAC4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
SMILESCc1ccc(N2CC(NS(=O)(=O)c3ccc(C(=O)O)cc3)CC2=O)cc1
InChIInChI=1S/C18H18N2O5S/c1-12-2-6-15(7-3-12)20-11-14(10-17(20)21)19-26(24,25)16-8-4-13(5-9-16)18(22)23/h2-9,14,19H,10-11H2,1H3,(H,22,23)
InChIKeyLRGMMMVXKSLOFS-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.78
Rot. Bonds5

About 4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid

4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid (PubChem CID 43971395) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
PubChem CID43971395
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
SMILESCc1ccc(N2CC(NS(=O)(=O)c3ccc(C(=O)O)cc3)CC2=O)cc1
InChIInChI=1S/C18H18N2O5S/c1-12-2-6-15(7-3-12)20-11-14(10-17(20)21)19-26(24,25)16-8-4-13(5-9-16)18(22)23/h2-9,14,19H,10-11H2,1H3,(H,22,23)
InChIKeyLRGMMMVXKSLOFS-UHFFFAOYSA-N
XLogP1.78
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7256559
4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16822444
3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564535
4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
CID 16822400
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-methylbenzenesulfonamide
CID 110719771
2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564547
N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 94091199
(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1249284

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid (CID 43971395) is 4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid is Cc1ccc(N2CC(NS(=O)(=O)c3ccc(C(=O)O)cc3)CC2=O)cc1.
What is the InChIKey of 4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid?
The InChIKey is LRGMMMVXKSLOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-12-2-6-15(7-3-12)20-11-14(10-17(20)21)19-26(24,25)16-8-4-13(5-9-16)18(22)23/h2-9,14,19H,10-11H2,1H3,(H,22,23).
What are the key properties of 4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid?
4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid has a molecular weight of 374.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 43971395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).