N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide

C19H19NO3S — CID 139969441

IUPACN-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCOCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H19NO3S/c21-24(22,19-12-6-10-17-9-4-5-11-18(17)19)20-13-14-23-15-16-7-2-1-3-8-16/h1-12,20H,13-15H2
InChIKeyVJKHHWYEGDROOH-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.33
Rot. Bonds7

About N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide

N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide (PubChem CID 139969441) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide
PubChem CID139969441
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCOCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H19NO3S/c21-24(22,19-12-6-10-17-9-4-5-11-18(17)19)20-13-14-23-15-16-7-2-1-3-8-16/h1-12,20H,13-15H2
InChIKeyVJKHHWYEGDROOH-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
CID 3764868
N-benzylnaphthalene-1-sulfonamide
CID 3844256
4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 100553033
2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide
CID 131007900
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 139969428
N-[2-[2-[(4-methoxyphenyl)methoxy]ethylamino]ethyl]isoquinoline-5-sulfonamide
CID 11177495
N-(3-ethenoxypropyl)naphthalene-1-sulfonamide
CID 114795784
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide (CID 139969441) is N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide is O=S(=O)(NCCOCc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide?
The InChIKey is VJKHHWYEGDROOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c21-24(22,19-12-6-10-17-9-4-5-11-18(17)19)20-13-14-23-15-16-7-2-1-3-8-16/h1-12,20H,13-15H2.
What are the key properties of N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide?
N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 139969441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).