N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C17H26N2O3S — CID 900785

IUPACN-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)18-23(21,22)15-9-6-14(7-10-15)8-11-16(20)19-12-4-5-13-19/h6-7,9-10,18H,4-5,8,11-13H2,1-3H3
InChIKeyYVGUYNMHPAWIFC-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.32
Rot. Bonds5

About N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 900785) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID900785
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)18-23(21,22)15-9-6-14(7-10-15)8-11-16(20)19-12-4-5-13-19/h6-7,9-10,18H,4-5,8,11-13H2,1-3H3
InChIKeyYVGUYNMHPAWIFC-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 900785) is N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1.
What is the InChIKey of N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is YVGUYNMHPAWIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,3)18-23(21,22)15-9-6-14(7-10-15)8-11-16(20)19-12-4-5-13-19/h6-7,9-10,18H,4-5,8,11-13H2,1-3H3.
What are the key properties of N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 900785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).