N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide

C18H24N2O3S — CID 71889809

IUPACN-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCCOc1cccc2ccccc12)N1CCCCCC1
InChIInChI=1S/C18H24N2O3S/c21-24(22,20-13-5-1-2-6-14-20)19-12-15-23-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11,19H,1-2,5-6,12-15H2
InChIKeyVHVSCUFCEOAMCE-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.93
Rot. Bonds6

About N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide

N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide (PubChem CID 71889809) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide
PubChem CID71889809
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCCOc1cccc2ccccc12)N1CCCCCC1
InChIInChI=1S/C18H24N2O3S/c21-24(22,20-13-5-1-2-6-14-20)19-12-15-23-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11,19H,1-2,5-6,12-15H2
InChIKeyVHVSCUFCEOAMCE-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-naphthalen-1-yloxyethyl)morpholine-4-sulfonamide
CID 71939103
N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
CID 54915246
N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide
CID 47149085
N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide
CID 38114249
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369684
5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide
CID 60542376
N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide
CID 71899025
2-naphthalen-1-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1013950
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
N-[2-[(R)-phenylsulfinyl]ethyl]azepane-1-sulfonamide
CID 95307492
1-N-(2-naphthalen-1-yloxyethyl)piperidine-1,4-dicarboxamide
CID 56797933

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide (CID 71889809) is N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide is O=S(=O)(NCCOc1cccc2ccccc12)N1CCCCCC1.
What is the InChIKey of N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide?
The InChIKey is VHVSCUFCEOAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-24(22,20-13-5-1-2-6-14-20)19-12-15-23-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11,19H,1-2,5-6,12-15H2.
What are the key properties of N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide?
N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide is sourced from PubChem (CID 71889809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).