N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C14H20N2O3S — CID 770953

IUPACN,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-12-5-7-13(8-6-12)20(18,19)15(2)11-14(17)16-9-3-4-10-16/h5-8H,3-4,9-11H2,1-2H3
InChIKeySDVRHBZKQUBIEG-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.24
Rot. Bonds4

About N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 770953) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID770953
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-12-5-7-13(8-6-12)20(18,19)15(2)11-14(17)16-9-3-4-10-16/h5-8H,3-4,9-11H2,1-2H3
InChIKeySDVRHBZKQUBIEG-UHFFFAOYSA-N
XLogP1.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 770953) is N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1.
What is the InChIKey of N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is SDVRHBZKQUBIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-12-5-7-13(8-6-12)20(18,19)15(2)11-14(17)16-9-3-4-10-16/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 770953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).