4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide

C19H19NO3S — CID 741442

IUPAC4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C19H19NO3S/c1-23-18-11-12-19(17-10-6-5-9-16(17)18)24(21,22)20-14-13-15-7-3-2-4-8-15/h2-12,20H,13-14H2,1H3
InChIKeyOHUUSTNABZPUJD-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.37
Rot. Bonds6

About 4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide

4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide (PubChem CID 741442) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
PubChem CID741442
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C19H19NO3S/c1-23-18-11-12-19(17-10-6-5-9-16(17)18)24(21,22)20-14-13-15-7-3-2-4-8-15/h2-12,20H,13-14H2,1H3
InChIKeyOHUUSTNABZPUJD-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide
CID 25252533
2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1314394
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
CID 4914456
N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
CID 78873411
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
N-ethyl-2-[(4-methoxynaphthalen-1-yl)sulfonylamino]acetamide
CID 86985962
N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide
CID 2899093
N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride
CID 120664583
4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 100553033
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide (CID 741442) is 4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide is COc1ccc(S(=O)(=O)NCCc2ccccc2)c2ccccc12.
What is the InChIKey of 4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide?
The InChIKey is OHUUSTNABZPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-23-18-11-12-19(17-10-6-5-9-16(17)18)24(21,22)20-14-13-15-7-3-2-4-8-15/h2-12,20H,13-14H2,1H3.
What are the key properties of 4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide?
4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 741442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).