N-(2-phenoxyethyl)naphthalene-2-sulfonamide

C18H17NO3S — CID 2302638

IUPACN-(2-phenoxyethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCOc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H17NO3S/c20-23(21,19-12-13-22-17-8-2-1-3-9-17)18-11-10-15-6-4-5-7-16(15)14-18/h1-11,14,19H,12-13H2
InChIKeyJCKYDTNTTUPASA-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.20
Rot. Bonds6

About N-(2-phenoxyethyl)naphthalene-2-sulfonamide

N-(2-phenoxyethyl)naphthalene-2-sulfonamide (PubChem CID 2302638) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2-phenoxyethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)naphthalene-2-sulfonamide
PubChem CID2302638
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-(2-phenoxyethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCOc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H17NO3S/c20-23(21,19-12-13-22-17-8-2-1-3-9-17)18-11-10-15-6-4-5-7-16(15)14-18/h1-11,14,19H,12-13H2
InChIKeyJCKYDTNTTUPASA-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.20
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

4-[(6-Ethoxy-2-naphthyl)sulfonyl]morpholine
CID 786092
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2231172
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)naphthalene-2-sulfonamide
CID 5041879
N-(N-(4-methoxyphenethyl)carbamimidoyl)naphthalene-2-sulfonamide
CID 7197441
N-[2-(4-methylphenoxy)ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 16321449
6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 2280707
N-methyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide
CID 155214063
Naphthylsulfonamide, 19
CID 25138195
3-(naphthalen-2-ylsulfonylamino)-N-(2-phenoxyethyl)propanamide
CID 9115939
N-[2-(1-cyclohexen-1-yl)ethyl]-4-ethoxy-1-naphthalenesulfonamide
CID 1290165
5-ethyl-2-methoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811250
N-cyclohexyl-4-propoxynaphthalene-1-sulfonamide
CID 2236143

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(2-phenoxyethyl)naphthalene-2-sulfonamide (CID 2302638) is N-(2-phenoxyethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-phenoxyethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2-phenoxyethyl)naphthalene-2-sulfonamide is O=S(=O)(NCCOc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-phenoxyethyl)naphthalene-2-sulfonamide?
The InChIKey is JCKYDTNTTUPASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c20-23(21,19-12-13-22-17-8-2-1-3-9-17)18-11-10-15-6-4-5-7-16(15)14-18/h1-11,14,19H,12-13H2.
What are the key properties of N-(2-phenoxyethyl)naphthalene-2-sulfonamide?
N-(2-phenoxyethyl)naphthalene-2-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 2302638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).