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

C18H18N2O5S — CID 54792451

IUPAC1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C18H18N2O5S/c1-19(14-5-3-2-4-6-14)26(24,25)16-9-7-15(8-10-16)20-12-13(18(22)23)11-17(20)21/h2-10,13H,11-12H2,1H3,(H,22,23)
InChIKeyZCMLQDQMFWEQFP-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.95
Rot. Bonds5

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

1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 54792451) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID54792451
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C18H18N2O5S/c1-19(14-5-3-2-4-6-14)26(24,25)16-9-7-15(8-10-16)20-12-13(18(22)23)11-17(20)21/h2-10,13H,11-12H2,1H3,(H,22,23)
InChIKeyZCMLQDQMFWEQFP-UHFFFAOYSA-N
XLogP1.95
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
(3S)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 28732907
1-[4-[methyl(1,3-thiazol-2-ylmethyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 154744361
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 42652125
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
N-cyclopropyl-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 45491488
1-(4-tert-butylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187256
(3S)-1-[4-[(2-fluorophenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 39323749
1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690935

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 54792451) is 1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid is CN(c1ccccc1)S(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is ZCMLQDQMFWEQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-19(14-5-3-2-4-6-14)26(24,25)16-9-7-15(8-10-16)20-12-13(18(22)23)11-17(20)21/h2-10,13H,11-12H2,1H3,(H,22,23).
What are the key properties of 1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 374.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 54792451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).