4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C16H24N2O3S — CID 972467

IUPAC4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-16(2,3)13-6-8-14(9-7-13)22(20,21)17-12-15(19)18-10-4-5-11-18/h6-9,17H,4-5,10-12H2,1-3H3
InChIKeyZINCNCLYIUKCGA-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.88
Rot. Bonds4

About 4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 972467) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID972467
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-16(2,3)13-6-8-14(9-7-13)22(20,21)17-12-15(19)18-10-4-5-11-18/h6-9,17H,4-5,10-12H2,1-3H3
InChIKeyZINCNCLYIUKCGA-UHFFFAOYSA-N
XLogP1.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 267368
CID 267368
CID 10848746
CID 10848746
CID 852268
CID 852268
CID 934541
CID 934541
CID 2500491
CID 2500491
CID 2697426
CID 2697426
CID 2971751
CID 2971751
CID 4787641
CID 4787641
CID 751041
CID 751041
CID 9357145
CID 9357145
CID 2106955
CID 2106955
CID 2465157
CID 2465157

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 972467) is 4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is ZINCNCLYIUKCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(2,3)13-6-8-14(9-7-13)22(20,21)17-12-15(19)18-10-4-5-11-18/h6-9,17H,4-5,10-12H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 972467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).