N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide

C25H28N2O3S — CID 57467243

IUPACN-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide
SMILESNC1CCc2ccc(OCCNS(=O)(=O)c3ccccc3)cc2C1Cc1ccccc1
InChIInChI=1S/C25H28N2O3S/c26-25-14-12-20-11-13-21(18-23(20)24(25)17-19-7-3-1-4-8-19)30-16-15-27-31(28,29)22-9-5-2-6-10-22/h1-11,13,18,24-25,27H,12,14-17,26H2
InChIKeyWPZBXZGOUNJUGW-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.64
Rot. Bonds8

About N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide

N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide (PubChem CID 57467243) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide
PubChem CID57467243
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide
SMILESNC1CCc2ccc(OCCNS(=O)(=O)c3ccccc3)cc2C1Cc1ccccc1
InChIInChI=1S/C25H28N2O3S/c26-25-14-12-20-11-13-21(18-23(20)24(25)17-19-7-3-1-4-8-19)30-16-15-27-31(28,29)22-9-5-2-6-10-22/h1-11,13,18,24-25,27H,12,14-17,26H2
InChIKeyWPZBXZGOUNJUGW-UHFFFAOYSA-N
XLogP3.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.64
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-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide (CID 57467243) is N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide is NC1CCc2ccc(OCCNS(=O)(=O)c3ccccc3)cc2C1Cc1ccccc1.
What is the InChIKey of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide?
The InChIKey is WPZBXZGOUNJUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c26-25-14-12-20-11-13-21(18-23(20)24(25)17-19-7-3-1-4-8-19)30-16-15-27-31(28,29)22-9-5-2-6-10-22/h1-11,13,18,24-25,27H,12,14-17,26H2.
What are the key properties of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide?
N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide has a molecular weight of 436.58 g/mol, XLogP of 3.64, 8 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-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 57467243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).