4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C16H24N2O4S — CID 6471321

IUPAC4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-18(13-16(19)17-11-5-6-12-17)23(20,21)15-9-7-14(8-10-15)22-4-2/h7-10H,3-6,11-13H2,1-2H3
InChIKeyIBDKYVWWYNBUNN-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.72
Rot. Bonds7

About 4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 6471321) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID6471321
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-18(13-16(19)17-11-5-6-12-17)23(20,21)15-9-7-14(8-10-15)22-4-2/h7-10H,3-6,11-13H2,1-2H3
InChIKeyIBDKYVWWYNBUNN-UHFFFAOYSA-N
XLogP1.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 6471321) is 4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is IBDKYVWWYNBUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-18(13-16(19)17-11-5-6-12-17)23(20,21)15-9-7-14(8-10-15)22-4-2/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 6471321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).