4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide

C17H22N2O3S — CID 175858712

IUPAC4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide
SMILESCC(NS(=O)(=O)C1=CCC(=O)c2ccccc21)C1CCCCN1
InChIInChI=1S/C17H22N2O3S/c1-12(15-8-4-5-11-18-15)19-23(21,22)17-10-9-16(20)13-6-2-3-7-14(13)17/h2-3,6-7,10,12,15,18-19H,4-5,8-9,11H2,1H3
InChIKeyHQTNCKNTVLVGQI-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.06
Rot. Bonds4

About 4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide

4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide (PubChem CID 175858712) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide
PubChem CID175858712
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide
SMILESCC(NS(=O)(=O)C1=CCC(=O)c2ccccc21)C1CCCCN1
InChIInChI=1S/C17H22N2O3S/c1-12(15-8-4-5-11-18-15)19-23(21,22)17-10-9-16(20)13-6-2-3-7-14(13)17/h2-3,6-7,10,12,15,18-19H,4-5,8-9,11H2,1H3
InChIKeyHQTNCKNTVLVGQI-UHFFFAOYSA-N
XLogP2.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide?
The IUPAC name of 4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide (CID 175858712) is 4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide.
What is the SMILES notation for 4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide?
The canonical SMILES for 4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide is CC(NS(=O)(=O)C1=CCC(=O)c2ccccc21)C1CCCCN1.
What is the InChIKey of 4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide?
The InChIKey is HQTNCKNTVLVGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12(15-8-4-5-11-18-15)19-23(21,22)17-10-9-16(20)13-6-2-3-7-14(13)17/h2-3,6-7,10,12,15,18-19H,4-5,8-9,11H2,1H3.
What are the key properties of 4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide?
4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1-piperidin-2-ylethyl)-3H-naphthalene-1-sulfonamide is sourced from PubChem (CID 175858712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).