N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide

C23H26N2O3S — CID 16892779

IUPACN-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O3S/c26-29(27,22-12-11-19-7-4-5-10-21(19)17-22)24-13-6-14-25-15-16-28-23(18-25)20-8-2-1-3-9-20/h1-5,7-12,17,23-24H,6,13-16,18H2
InChIKeyXBAVBJSAOLWBKB-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.58
Rot. Bonds7

About N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide

N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide (PubChem CID 16892779) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide
PubChem CID16892779
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O3S/c26-29(27,22-12-11-19-7-4-5-10-21(19)17-22)24-13-6-14-25-15-16-28-23(18-25)20-8-2-1-3-9-20/h1-5,7-12,17,23-24H,6,13-16,18H2
InChIKeyXBAVBJSAOLWBKB-UHFFFAOYSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide (CID 16892779) is N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide is O=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide?
The InChIKey is XBAVBJSAOLWBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c26-29(27,22-12-11-19-7-4-5-10-21(19)17-22)24-13-6-14-25-15-16-28-23(18-25)20-8-2-1-3-9-20/h1-5,7-12,17,23-24H,6,13-16,18H2.
What are the key properties of N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide?
N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide has a molecular weight of 410.54 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylmorpholin-4-yl)propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 16892779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).