N-(2-phenylmethoxyethyl)benzenesulfonamide

C15H17NO3S — CID 555308

IUPACN-(2-phenylmethoxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO3S/c17-20(18,15-9-5-2-6-10-15)16-11-12-19-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyAGYSQGVNDGHWIG-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.18
Rot. Bonds7

About N-(2-phenylmethoxyethyl)benzenesulfonamide

N-(2-phenylmethoxyethyl)benzenesulfonamide (PubChem CID 555308) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)benzenesulfonamide
PubChem CID555308
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(2-phenylmethoxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO3S/c17-20(18,15-9-5-2-6-10-15)16-11-12-19-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyAGYSQGVNDGHWIG-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.18
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-phenylmethoxyethyl)benzenesulfonamide?
The IUPAC name of N-(2-phenylmethoxyethyl)benzenesulfonamide (CID 555308) is N-(2-phenylmethoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-phenylmethoxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2-phenylmethoxyethyl)benzenesulfonamide is O=S(=O)(NCCOCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-phenylmethoxyethyl)benzenesulfonamide?
The InChIKey is AGYSQGVNDGHWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-20(18,15-9-5-2-6-10-15)16-11-12-19-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2.
What are the key properties of N-(2-phenylmethoxyethyl)benzenesulfonamide?
N-(2-phenylmethoxyethyl)benzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 555308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).