N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide

C16H19NO4S — CID 110423600

IUPACN-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCc2ccc(O)cc2)cc1
InChIInChI=1S/C16H19NO4S/c1-21-15-8-10-16(11-9-15)22(19,20)17-12-2-3-13-4-6-14(18)7-5-13/h4-11,17-18H,2-3,12H2,1H3
InChIKeyXWWULQYWLGIFMO-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.31
Rot. Bonds7

About N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide

N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide (PubChem CID 110423600) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide
PubChem CID110423600
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCc2ccc(O)cc2)cc1
InChIInChI=1S/C16H19NO4S/c1-21-15-8-10-16(11-9-15)22(19,20)17-12-2-3-13-4-6-14(18)7-5-13/h4-11,17-18H,2-3,12H2,1H3
InChIKeyXWWULQYWLGIFMO-UHFFFAOYSA-N
XLogP2.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide (CID 110423600) is N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCc2ccc(O)cc2)cc1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide?
The InChIKey is XWWULQYWLGIFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-21-15-8-10-16(11-9-15)22(19,20)17-12-2-3-13-4-6-14(18)7-5-13/h4-11,17-18H,2-3,12H2,1H3.
What are the key properties of N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide?
N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110423600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).