N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide

C19H23NO3S — CID 25248834

IUPACN-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2=CCCCC2)c2ccccc12
InChIInChI=1S/C19H23NO3S/c1-2-23-18-12-13-19(17-11-7-6-10-16(17)18)24(21,22)20-14-15-8-4-3-5-9-15/h6-8,10-13,20H,2-5,9,14H2,1H3
InChIKeyVTAHFWWNHBPOJK-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.02
Rot. Bonds6

About N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide

N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide (PubChem CID 25248834) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide
PubChem CID25248834
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2=CCCCC2)c2ccccc12
InChIInChI=1S/C19H23NO3S/c1-2-23-18-12-13-19(17-11-7-6-10-16(17)18)24(21,22)20-14-15-8-4-3-5-9-15/h6-8,10-13,20H,2-5,9,14H2,1H3
InChIKeyVTAHFWWNHBPOJK-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 119968708
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
CID 3605939
N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide
CID 71852690
4-chloro-N-(cyclohexen-1-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 25248835
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide
CID 47071849
N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37478389
sodium;4-ethoxynaphthalene-1-sulfonic acid;hydride
CID 173109617

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide (CID 25248834) is N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NCC2=CCCCC2)c2ccccc12.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide?
The InChIKey is VTAHFWWNHBPOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-2-23-18-12-13-19(17-11-7-6-10-16(17)18)24(21,22)20-14-15-8-4-3-5-9-15/h6-8,10-13,20H,2-5,9,14H2,1H3.
What are the key properties of N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide?
N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide has a molecular weight of 345.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 25248834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).