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

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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).