N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide

C17H20N2O3S — CID 17398721

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C17H20N2O3S/c20-17(19-11-3-4-12-19)9-10-18-23(21,22)16-8-7-14-5-1-2-6-15(14)13-16/h1-2,5-8,13,18H,3-4,9-12H2
InChIKeyYPNVCOKJVWSKLL-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.13
Rot. Bonds5

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide (PubChem CID 17398721) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide
PubChem CID17398721
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C17H20N2O3S/c20-17(19-11-3-4-12-19)9-10-18-23(21,22)16-8-7-14-5-1-2-6-15(14)13-16/h1-2,5-8,13,18H,3-4,9-12H2
InChIKeyYPNVCOKJVWSKLL-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide (CID 17398721) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide is O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide?
The InChIKey is YPNVCOKJVWSKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17(19-11-3-4-12-19)9-10-18-23(21,22)16-8-7-14-5-1-2-6-15(14)13-16/h1-2,5-8,13,18H,3-4,9-12H2.
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide has a molecular weight of 332.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 17398721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).