N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide

C13H18N2O4S — CID 136552437

IUPACN-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC1C(=O)NCC1(C)C
InChIInChI=1S/C13H18N2O4S/c1-13(2)8-14-12(16)11(13)15-20(17,18)10-7-5-4-6-9(10)19-3/h4-7,11,15H,8H2,1-3H3,(H,14,16)
InChIKeyYPFVSPKSVNVJBL-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.50
Rot. Bonds4

About N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide

N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide (PubChem CID 136552437) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide
PubChem CID136552437
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC1C(=O)NCC1(C)C
InChIInChI=1S/C13H18N2O4S/c1-13(2)8-14-12(16)11(13)15-20(17,18)10-7-5-4-6-9(10)19-3/h4-7,11,15H,8H2,1-3H3,(H,14,16)
InChIKeyYPFVSPKSVNVJBL-UHFFFAOYSA-N
XLogP0.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
CID 126826624
2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide
CID 142524494
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 84777218
N-(5-azaspiro[3.5]nonan-8-yl)-2-methoxybenzenesulfonamide
CID 43597956
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide
CID 75508306
1-(2-methoxyphenyl)sulfonylcyclopropane-1-carbonitrile
CID 116855151
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide (CID 136552437) is N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NC1C(=O)NCC1(C)C.
What is the InChIKey of N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide?
The InChIKey is YPFVSPKSVNVJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-13(2)8-14-12(16)11(13)15-20(17,18)10-7-5-4-6-9(10)19-3/h4-7,11,15H,8H2,1-3H3,(H,14,16).
What are the key properties of N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide?
N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide has a molecular weight of 298.36 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 N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 136552437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).