4-(2-phenylmethoxyethyl)benzenesulfonamide

C15H17NO3S — CID 70517905

IUPAC4-(2-phenylmethoxyethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCOCc2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c16-20(17,18)15-8-6-13(7-9-15)10-11-19-12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,16,17,18)
InChIKeySJJXRCHTXNCZLD-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.09
Rot. Bonds6

About 4-(2-phenylmethoxyethyl)benzenesulfonamide

4-(2-phenylmethoxyethyl)benzenesulfonamide (PubChem CID 70517905) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-(2-phenylmethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-phenylmethoxyethyl)benzenesulfonamide
PubChem CID70517905
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-(2-phenylmethoxyethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCOCc2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c16-20(17,18)15-8-6-13(7-9-15)10-11-19-12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,16,17,18)
InChIKeySJJXRCHTXNCZLD-UHFFFAOYSA-N
XLogP2.09
TPSA69.39 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 ≤ 52.09
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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Related Compounds

4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
2-phenylethyl N-(4-sulfamoylphenyl)carbamate
CID 127525088
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
4-(phenylmethoxyamino)benzenesulfonamide
CID 171384467
4-(phenylmethoxymethyl)benzenesulfonyl chloride
CID 11066402
4-(2-phenylethoxymethyl)benzonitrile
CID 43128153
disodium;phenylmethoxymethylbenzene;sulfate
CID 70513406
3-(amino-methyl-oxo-λ6-sulfanylidene)propoxymethylbenzene
CID 123438576
4-phenylmethoxybutane-1-sulfonate
CID 59763065
4-(4-phenylbutoxymethyl)aniline
CID 114332885
3-oxo-6-[4-(2-phenylmethoxyethylsulfonyl)phenyl]hexanoic acid
CID 152713719
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyethyl)benzenesulfonamide?
The IUPAC name of 4-(2-phenylmethoxyethyl)benzenesulfonamide (CID 70517905) is 4-(2-phenylmethoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-phenylmethoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-phenylmethoxyethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(CCOCc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylmethoxyethyl)benzenesulfonamide?
The InChIKey is SJJXRCHTXNCZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c16-20(17,18)15-8-6-13(7-9-15)10-11-19-12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,16,17,18).
What are the key properties of 4-(2-phenylmethoxyethyl)benzenesulfonamide?
4-(2-phenylmethoxyethyl)benzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 70517905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).