N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C17H26N2O3S — CID 976884

IUPACN-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-14(2)13-18-23(21,22)16-8-5-15(6-9-16)7-10-17(20)19-11-3-4-12-19/h5-6,8-9,14,18H,3-4,7,10-13H2,1-2H3
InChIKeyQWRUMLCNJKRRES-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.18
Rot. Bonds7

About N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 976884) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID976884
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-14(2)13-18-23(21,22)16-8-5-15(6-9-16)7-10-17(20)19-11-3-4-12-19/h5-6,8-9,14,18H,3-4,7,10-13H2,1-2H3
InChIKeyQWRUMLCNJKRRES-UHFFFAOYSA-N
XLogP2.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 976884) is N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is QWRUMLCNJKRRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14(2)13-18-23(21,22)16-8-5-15(6-9-16)7-10-17(20)19-11-3-4-12-19/h5-6,8-9,14,18H,3-4,7,10-13H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 976884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).