5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide

C19H22ClNO4S — CID 113101631

IUPAC5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C19H22ClNO4S/c1-24-18-9-7-16(20)13-19(18)26(22,23)21-10-11-25-17-8-6-14-4-2-3-5-15(14)12-17/h6-9,12-13,21H,2-5,10-11H2,1H3
InChIKeyGANSSUULFVNBJT-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.58
Rot. Bonds7

About 5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide

5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide (PubChem CID 113101631) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
PubChem CID113101631
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC Name5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C19H22ClNO4S/c1-24-18-9-7-16(20)13-19(18)26(22,23)21-10-11-25-17-8-6-14-4-2-3-5-15(14)12-17/h6-9,12-13,21H,2-5,10-11H2,1H3
InChIKeyGANSSUULFVNBJT-UHFFFAOYSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113100078
2,5-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
CID 113101603
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113103026
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 110780390
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 113101493
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]-2-methoxybenzenesulfonamide;hydrochloride
CID 66868964
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 30366359

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide (CID 113101631) is 5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide?
The InChIKey is GANSSUULFVNBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c1-24-18-9-7-16(20)13-19(18)26(22,23)21-10-11-25-17-8-6-14-4-2-3-5-15(14)12-17/h6-9,12-13,21H,2-5,10-11H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide has a molecular weight of 395.91 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 113101631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).