N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide

C18H23F3N2O5S2 — CID 10205323

IUPACN-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCc1ccc2cc(OCCNS(=O)(=O)C(F)(F)F)ccc2c1
InChIInChI=1S/C18H23F3N2O5S2/c1-13(2)29(24,25)22-8-7-14-3-4-16-12-17(6-5-15(16)11-14)28-10-9-23-30(26,27)18(19,20)21/h3-6,11-13,22-23H,7-10H2,1-2H3
InChIKeyANUBTWXVWLWQCY-UHFFFAOYSA-N
MW468.52 g/mol
LogP2.53
Rot. Bonds10

About N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide

N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide (PubChem CID 10205323) has the molecular formula C18H23F3N2O5S2 and a molecular weight of 468.52 g/mol. Its IUPAC name is N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide
PubChem CID10205323
Molecular FormulaC18H23F3N2O5S2
Molecular Weight468.52 g/mol
Exact Mass468.10
IUPAC NameN-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCc1ccc2cc(OCCNS(=O)(=O)C(F)(F)F)ccc2c1
InChIInChI=1S/C18H23F3N2O5S2/c1-13(2)29(24,25)22-8-7-14-3-4-16-12-17(6-5-15(16)11-14)28-10-9-23-30(26,27)18(19,20)21/h3-6,11-13,22-23H,7-10H2,1-2H3
InChIKeyANUBTWXVWLWQCY-UHFFFAOYSA-N
XLogP2.53
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide (CID 10205323) is N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCc1ccc2cc(OCCNS(=O)(=O)C(F)(F)F)ccc2c1.
What is the InChIKey of N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide?
The InChIKey is ANUBTWXVWLWQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O5S2/c1-13(2)29(24,25)22-8-7-14-3-4-16-12-17(6-5-15(16)11-14)28-10-9-23-30(26,27)18(19,20)21/h3-6,11-13,22-23H,7-10H2,1-2H3.
What are the key properties of N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide?
N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide has a molecular weight of 468.52 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 10205323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).