N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C16H24N2O3S — CID 899199

IUPACN,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C16H24N2O3S/c1-12-9-13(2)16(14(3)10-12)22(20,21)17(4)11-15(19)18-7-5-6-8-18/h9-10H,5-8,11H2,1-4H3
InChIKeyUBLNQAFZFBATAE-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.85
Rot. Bonds4

About N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 899199) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID899199
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C16H24N2O3S/c1-12-9-13(2)16(14(3)10-12)22(20,21)17(4)11-15(19)18-7-5-6-8-18/h9-10H,5-8,11H2,1-4H3
InChIKeyUBLNQAFZFBATAE-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 899199) is N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCCC2)c(C)c1.
What is the InChIKey of N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is UBLNQAFZFBATAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-9-13(2)16(14(3)10-12)22(20,21)17(4)11-15(19)18-7-5-6-8-18/h9-10H,5-8,11H2,1-4H3.
What are the key properties of N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 899199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).