N-[2-(2-phenylphenoxy)ethyl]methanesulfonamide

C15H17NO3S — CID 579044

IUPACN-[2-(2-phenylphenoxy)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C15H17NO3S/c1-20(17,18)16-11-12-19-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKeyFVVYDGZNHYCFIS-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.28
Rot. Bonds6

About N-[2-(2-phenylphenoxy)ethyl]methanesulfonamide

N-[2-(2-phenylphenoxy)ethyl]methanesulfonamide (PubChem CID 579044) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-(2-phenylphenoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-phenylphenoxy)ethyl]methanesulfonamide
PubChem CID579044
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[2-(2-phenylphenoxy)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C15H17NO3S/c1-20(17,18)16-11-12-19-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKeyFVVYDGZNHYCFIS-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-phenylphenoxy)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-phenylphenoxy)ethyl]methanesulfonamide (CID 579044) is N-[2-(2-phenylphenoxy)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-phenylphenoxy)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-phenylphenoxy)ethyl]methanesulfonamide is CS(=O)(=O)NCCOc1ccccc1-c1ccccc1.
What is the InChIKey of N-[2-(2-phenylphenoxy)ethyl]methanesulfonamide?
The InChIKey is FVVYDGZNHYCFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-20(17,18)16-11-12-19-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3.
What are the key properties of N-[2-(2-phenylphenoxy)ethyl]methanesulfonamide?
N-[2-(2-phenylphenoxy)ethyl]methanesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylphenoxy)ethyl]methanesulfonamide is sourced from PubChem (CID 579044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).