N-benzyl-2-phenoxyethanesulfonamide

C15H17NO3S — CID 11140850

IUPACN-benzyl-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NCc1ccccc1
InChIInChI=1S/C15H17NO3S/c17-20(18,16-13-14-7-3-1-4-8-14)12-11-19-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyAUPQBOWCPKUIQV-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.18
Rot. Bonds7

About N-benzyl-2-phenoxyethanesulfonamide

N-benzyl-2-phenoxyethanesulfonamide (PubChem CID 11140850) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-benzyl-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-phenoxyethanesulfonamide
PubChem CID11140850
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-benzyl-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NCc1ccccc1
InChIInChI=1S/C15H17NO3S/c17-20(18,16-13-14-7-3-1-4-8-14)12-11-19-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyAUPQBOWCPKUIQV-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

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Related Compounds

N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518723
1-[2-(benzylsulfamoyl)ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005294
2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
CID 122558057
1-[2-(benzylsulfamoyl)ethyl]-2-methyl-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111417480
2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide
CID 90518392
N-benzyl-4-chlorobutane-1-sulfonamide
CID 116814854
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide
CID 91956267
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
N-benzyl-1-bromomethanesulfonamide
CID 75373678
2-phenoxyethanesulfonamide
CID 54595861

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenoxyethanesulfonamide?
The IUPAC name of N-benzyl-2-phenoxyethanesulfonamide (CID 11140850) is N-benzyl-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-benzyl-2-phenoxyethanesulfonamide?
The canonical SMILES for N-benzyl-2-phenoxyethanesulfonamide is O=S(=O)(CCOc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-phenoxyethanesulfonamide?
The InChIKey is AUPQBOWCPKUIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-20(18,16-13-14-7-3-1-4-8-14)12-11-19-15-9-5-2-6-10-15/h1-10,16H,11-13H2.
What are the key properties of N-benzyl-2-phenoxyethanesulfonamide?
N-benzyl-2-phenoxyethanesulfonamide 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-benzyl-2-phenoxyethanesulfonamide is sourced from PubChem (CID 11140850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).