N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide

C24H32Cl2N2O3S — CID 57471260

IUPACN-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NCCOc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2
InChIInChI=1S/C24H32Cl2N2O3S/c1-2-3-4-13-32(29,30)28-11-12-31-19-8-6-18-7-10-24(27)21(20(18)16-19)14-17-5-9-22(25)23(26)15-17/h5-6,8-9,15-16,21,24,28H,2-4,7,10-14,27H2,1H3
InChIKeyRHCDODZKXZSAMU-UHFFFAOYSA-N
MW499.50 g/mol
LogP5.08
Rot. Bonds11

About N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide

N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide (PubChem CID 57471260) has the molecular formula C24H32Cl2N2O3S and a molecular weight of 499.50 g/mol. Its IUPAC name is N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide
PubChem CID57471260
Molecular FormulaC24H32Cl2N2O3S
Molecular Weight499.50 g/mol
Exact Mass498.15
IUPAC NameN-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NCCOc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2
InChIInChI=1S/C24H32Cl2N2O3S/c1-2-3-4-13-32(29,30)28-11-12-31-19-8-6-18-7-10-24(27)21(20(18)16-19)14-17-5-9-22(25)23(26)15-17/h5-6,8-9,15-16,21,24,28H,2-4,7,10-14,27H2,1H3
InChIKeyRHCDODZKXZSAMU-UHFFFAOYSA-N
XLogP5.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.50
LogP ≤ 55.08
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]pentane-1-sulfonamide?
The IUPAC name of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide (CID 57471260) is N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide.
What is the SMILES notation for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide?
The canonical SMILES for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide is CCCCCS(=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]pentane-1-sulfonamide?
The InChIKey is RHCDODZKXZSAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2N2O3S/c1-2-3-4-13-32(29,30)28-11-12-31-19-8-6-18-7-10-24(27)21(20(18)16-19)14-17-5-9-22(25)23(26)15-17/h5-6,8-9,15-16,21,24,28H,2-4,7,10-14,27H2,1H3.
What are the key properties of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide?
N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]pentane-1-sulfonamide has a molecular weight of 499.50 g/mol, XLogP of 5.08, 11 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]pentane-1-sulfonamide is sourced from PubChem (CID 57471260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).