N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide

C24H25NO4S — CID 146146612

IUPACN-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cc2ccccc2)ccc1O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C24H25NO4S/c26-24-15-10-19(16-18-6-2-1-3-7-18)17-23(24)25-30(27,28)22-13-11-21(12-14-22)29-20-8-4-5-9-20/h1-3,6-7,10-15,17,20,25-26H,4-5,8-9,16H2
InChIKeyAAOMLLPSLIHGIW-UHFFFAOYSA-N
MW423.53 g/mol
LogP5.11
Rot. Bonds7

About N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide

N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide (PubChem CID 146146612) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide
PubChem CID146146612
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC NameN-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cc2ccccc2)ccc1O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C24H25NO4S/c26-24-15-10-19(16-18-6-2-1-3-7-18)17-23(24)25-30(27,28)22-13-11-21(12-14-22)29-20-8-4-5-9-20/h1-3,6-7,10-15,17,20,25-26H,4-5,8-9,16H2
InChIKeyAAOMLLPSLIHGIW-UHFFFAOYSA-N
XLogP5.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.53
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide?
The IUPAC name of N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide (CID 146146612) is N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide.
What is the SMILES notation for N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide?
The canonical SMILES for N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide is O=S(=O)(Nc1cc(Cc2ccccc2)ccc1O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide?
The InChIKey is AAOMLLPSLIHGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c26-24-15-10-19(16-18-6-2-1-3-7-18)17-23(24)25-30(27,28)22-13-11-21(12-14-22)29-20-8-4-5-9-20/h1-3,6-7,10-15,17,20,25-26H,4-5,8-9,16H2.
What are the key properties of N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide?
N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide has a molecular weight of 423.53 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-2-hydroxyphenyl)-4-cyclopentyloxybenzenesulfonamide is sourced from PubChem (CID 146146612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).