4-methoxy-N-(4-phenylbutyl)benzenesulfonamide

C17H21NO3S — CID 2166768

IUPAC4-methoxy-N-(4-phenylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-21-16-10-12-17(13-11-16)22(19,20)18-14-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3
InChIKeyVJSLUQDJVYXQFG-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.00
Rot. Bonds8

About 4-methoxy-N-(4-phenylbutyl)benzenesulfonamide

4-methoxy-N-(4-phenylbutyl)benzenesulfonamide (PubChem CID 2166768) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-methoxy-N-(4-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-phenylbutyl)benzenesulfonamide
PubChem CID2166768
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-methoxy-N-(4-phenylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-21-16-10-12-17(13-11-16)22(19,20)18-14-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3
InChIKeyVJSLUQDJVYXQFG-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.00
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 4-methoxy-N-(4-phenylbutyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-phenylbutyl)benzenesulfonamide (CID 2166768) is 4-methoxy-N-(4-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-phenylbutyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCCc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-phenylbutyl)benzenesulfonamide?
The InChIKey is VJSLUQDJVYXQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-21-16-10-12-17(13-11-16)22(19,20)18-14-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3.
What are the key properties of 4-methoxy-N-(4-phenylbutyl)benzenesulfonamide?
4-methoxy-N-(4-phenylbutyl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 2166768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).