N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide

C20H24Cl2N2O3S — CID 57471179

IUPACN-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2
InChIInChI=1S/C20H24Cl2N2O3S/c1-28(25,26)24-8-9-27-15-5-3-14-4-7-20(23)17(16(14)12-15)10-13-2-6-18(21)19(22)11-13/h2-3,5-6,11-12,17,20,24H,4,7-10,23H2,1H3
InChIKeyWUUAVEZVOITAFJ-UHFFFAOYSA-N
MW443.40 g/mol
LogP3.52
Rot. Bonds7

About N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide

N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide (PubChem CID 57471179) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
PubChem CID57471179
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC NameN-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2
InChIInChI=1S/C20H24Cl2N2O3S/c1-28(25,26)24-8-9-27-15-5-3-14-4-7-20(23)17(16(14)12-15)10-13-2-6-18(21)19(22)11-13/h2-3,5-6,11-12,17,20,24H,4,7-10,23H2,1H3
InChIKeyWUUAVEZVOITAFJ-UHFFFAOYSA-N
XLogP3.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide (CID 57471179) is N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide is CS(=O)(=O)NCCOc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2.
What is the InChIKey of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?
The InChIKey is WUUAVEZVOITAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c1-28(25,26)24-8-9-27-15-5-3-14-4-7-20(23)17(16(14)12-15)10-13-2-6-18(21)19(22)11-13/h2-3,5-6,11-12,17,20,24H,4,7-10,23H2,1H3.
What are the key properties of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?
N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide has a molecular weight of 443.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide is sourced from PubChem (CID 57471179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).