3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide

C20H25NO5S — CID 113101718

IUPAC3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc3c2CCCC3)cc1OC
InChIInChI=1S/C20H25NO5S/c1-24-19-11-10-16(14-20(19)25-2)27(22,23)21-12-13-26-18-9-5-7-15-6-3-4-8-17(15)18/h5,7,9-11,14,21H,3-4,6,8,12-13H2,1-2H3
InChIKeyPVTIFXUBLJQKHD-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.94
Rot. Bonds8

About 3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide

3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide (PubChem CID 113101718) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide
PubChem CID113101718
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Name3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc3c2CCCC3)cc1OC
InChIInChI=1S/C20H25NO5S/c1-24-19-11-10-16(14-20(19)25-2)27(22,23)21-12-13-26-18-9-5-7-15-6-3-4-8-17(15)18/h5,7,9-11,14,21H,3-4,6,8,12-13H2,1-2H3
InChIKeyPVTIFXUBLJQKHD-UHFFFAOYSA-N
XLogP2.94
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 113099287
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923
methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 100552162
N-[2-(2,3-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100958
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613992
1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975064
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113102003
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101166

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide (CID 113101718) is 3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2cccc3c2CCCC3)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide?
The InChIKey is PVTIFXUBLJQKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-24-19-11-10-16(14-20(19)25-2)27(22,23)21-12-13-26-18-9-5-7-15-6-3-4-8-17(15)18/h5,7,9-11,14,21H,3-4,6,8,12-13H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide?
3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 113101718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).