4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide

C25H28N2O3S — CID 71624543

IUPAC4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-30-24-14-16-25(17-15-24)31(28,29)27(23-8-4-2-5-9-23)20-21-10-12-22(13-11-21)26-18-6-3-7-19-26/h2,4-5,8-17H,3,6-7,18-20H2,1H3
InChIKeyOWUYAKXOEONUBB-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.08
Rot. Bonds7

About 4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide

4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide (PubChem CID 71624543) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
PubChem CID71624543
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-30-24-14-16-25(17-15-24)31(28,29)27(23-8-4-2-5-9-23)20-21-10-12-22(13-11-21)26-18-6-3-7-19-26/h2,4-5,8-17H,3,6-7,18-20H2,1H3
InChIKeyOWUYAKXOEONUBB-UHFFFAOYSA-N
XLogP5.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide (CID 71624543) is 4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is OWUYAKXOEONUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-30-24-14-16-25(17-15-24)31(28,29)27(23-8-4-2-5-9-23)20-21-10-12-22(13-11-21)26-18-6-3-7-19-26/h2,4-5,8-17H,3,6-7,18-20H2,1H3.
What are the key properties of 4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 436.58 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 71624543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).