1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid

C12H14N2O5S — CID 168690935

IUPAC1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCS(=O)(=O)Nc1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C12H14N2O5S/c1-20(18,19)13-9-2-4-10(5-3-9)14-7-8(12(16)17)6-11(14)15/h2-5,8,13H,6-7H2,1H3,(H,16,17)
InChIKeyLCRPBGZEZOYTEX-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.50
Rot. Bonds4

About 1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid

1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690935) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690935
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCS(=O)(=O)Nc1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C12H14N2O5S/c1-20(18,19)13-9-2-4-10(5-3-9)14-7-8(12(16)17)6-11(14)15/h2-5,8,13H,6-7H2,1H3,(H,16,17)
InChIKeyLCRPBGZEZOYTEX-UHFFFAOYSA-N
XLogP0.50
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide
CID 168699643
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168654587
1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 22116008
1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46570341
1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 139000493
(3S)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 28732907
(3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 37257952
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 42652125

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 168690935) is 1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid is CS(=O)(=O)Nc1ccc(N2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is LCRPBGZEZOYTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-20(18,19)13-9-2-4-10(5-3-9)14-7-8(12(16)17)6-11(14)15/h2-5,8,13H,6-7H2,1H3,(H,16,17).
What are the key properties of 1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).