N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C14H20N2O3S — CID 706858

IUPACN-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1c(C)cc(N2CCCC2=O)cc1C
InChIInChI=1S/C14H20N2O3S/c1-4-15-20(18,19)14-10(2)8-12(9-11(14)3)16-7-5-6-13(16)17/h8-9,15H,4-7H2,1-3H3
InChIKeyPDRRTMPRWCTWAL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.73
Rot. Bonds4

About N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 706858) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID706858
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1c(C)cc(N2CCCC2=O)cc1C
InChIInChI=1S/C14H20N2O3S/c1-4-15-20(18,19)14-10(2)8-12(9-11(14)3)16-7-5-6-13(16)17/h8-9,15H,4-7H2,1-3H3
InChIKeyPDRRTMPRWCTWAL-UHFFFAOYSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 706858) is N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CCNS(=O)(=O)c1c(C)cc(N2CCCC2=O)cc1C.
What is the InChIKey of N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is PDRRTMPRWCTWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-15-20(18,19)14-10(2)8-12(9-11(14)3)16-7-5-6-13(16)17/h8-9,15H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 706858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).