6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide

C18H24N2O4S — CID 2280707

IUPAC6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc2c1
InChIInChI=1S/C18H24N2O4S/c1-23-17-5-3-16-14-18(6-4-15(16)13-17)25(21,22)19-7-2-8-20-9-11-24-12-10-20/h3-6,13-14,19H,2,7-12H2,1H3
InChIKeyKSKSYYLLOPUBRK-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.85
Rot. Bonds7

About 6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide

6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide (PubChem CID 2280707) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
PubChem CID2280707
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc2c1
InChIInChI=1S/C18H24N2O4S/c1-23-17-5-3-16-14-18(6-4-15(16)13-17)25(21,22)19-7-2-8-20-9-11-24-12-10-20/h3-6,13-14,19H,2,7-12H2,1H3
InChIKeyKSKSYYLLOPUBRK-UHFFFAOYSA-N
XLogP1.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(6-Ethoxynaphthalen-2-yl)sulfonylpiperidine
CID 786091
1-(6-Methoxy-naphthalene-2-sulfonyl)-pyrrolidine
CID 1085520
1-[(6-Methoxy-2-naphthyl)sulfonyl]-4-methylpiperazine
CID 775829
N-(2-phenoxyethyl)naphthalene-2-sulfonamide
CID 2302638
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
[(4-Methoxynaphthyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 652874
4-[(6-Ethoxy-2-naphthyl)sulfonyl]morpholine
CID 786092
1,1'-[(2-Methoxy-1,6-naphthalenediyl)disulfonyl]dipiperidine
CID 1242000
N-[2-(4-morpholinyl)ethyl]-4-propoxy-1-naphthalenesulfonamide
CID 2239380
4-methoxy-N-(2-morpholinoethyl)naphthalene-1-sulfonamide
CID 2295169
N-[3-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propyl]-4-methyl-benzenesulfonamide
CID 11257340
N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide
CID 11475386

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide?
The IUPAC name of 6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide (CID 2280707) is 6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide?
The canonical SMILES for 6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc2c1.
What is the InChIKey of 6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide?
The InChIKey is KSKSYYLLOPUBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-23-17-5-3-16-14-18(6-4-15(16)13-17)25(21,22)19-7-2-8-20-9-11-24-12-10-20/h3-6,13-14,19H,2,7-12H2,1H3.
What are the key properties of 6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide?
6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 2280707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).