5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid

C18H18N2O5S — CID 47784387

IUPAC5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C(=O)O)c1
InChIInChI=1S/C18H18N2O5S/c1-12-4-9-16(15(11-12)18(22)23)19-26(24,25)14-7-5-13(6-8-14)20-10-2-3-17(20)21/h4-9,11,19H,2-3,10H2,1H3,(H,22,23)
InChIKeyLFMQFTPBMOZGQE-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.62
Rot. Bonds5

About 5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid

5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid (PubChem CID 47784387) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
PubChem CID47784387
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C(=O)O)c1
InChIInChI=1S/C18H18N2O5S/c1-12-4-9-16(15(11-12)18(22)23)19-26(24,25)14-7-5-13(6-8-14)20-10-2-3-17(20)21/h4-9,11,19H,2-3,10H2,1H3,(H,22,23)
InChIKeyLFMQFTPBMOZGQE-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822523
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92685963
N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 58664932
2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide
CID 8822934
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110618410
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 35893819
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30382255
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 30379951
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28954772

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid (CID 47784387) is 5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid is Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is LFMQFTPBMOZGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-12-4-9-16(15(11-12)18(22)23)19-26(24,25)14-7-5-13(6-8-14)20-10-2-3-17(20)21/h4-9,11,19H,2-3,10H2,1H3,(H,22,23).
What are the key properties of 5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid?
5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 374.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 47784387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).