4-methoxy-N-(1-phenylethyl)benzenesulfonamide

C15H17NO3S — CID 4092765

IUPAC4-methoxy-N-(1-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-12(13-6-4-3-5-7-13)16-20(17,18)15-10-8-14(19-2)9-11-15/h3-12,16H,1-2H3
InChIKeyIOZUZXPHFQXYTG-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.73
Rot. Bonds5

About 4-methoxy-N-(1-phenylethyl)benzenesulfonamide

4-methoxy-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 4092765) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-methoxy-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(1-phenylethyl)benzenesulfonamide
PubChem CID4092765
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-methoxy-N-(1-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-12(13-6-4-3-5-7-13)16-20(17,18)15-10-8-14(19-2)9-11-15/h3-12,16H,1-2H3
InChIKeyIOZUZXPHFQXYTG-UHFFFAOYSA-N
XLogP2.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
N-[(4-methoxyphenyl)methyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1304675
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 43001289
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4197939
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(1-phenylethyl)benzenesulfonamide (CID 4092765) is 4-methoxy-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(1-phenylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is IOZUZXPHFQXYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12(13-6-4-3-5-7-13)16-20(17,18)15-10-8-14(19-2)9-11-15/h3-12,16H,1-2H3.
What are the key properties of 4-methoxy-N-(1-phenylethyl)benzenesulfonamide?
4-methoxy-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 4092765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).