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

C26H30N2O2S — CID 71623175

IUPACN-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C26H30N2O2S/c1-22-10-16-26(17-11-22)31(29,30)28(20-23-8-4-2-5-9-23)21-24-12-14-25(15-13-24)27-18-6-3-7-19-27/h2,4-5,8-17H,3,6-7,18-21H2,1H3
InChIKeySGWQQLRAZYJWBJ-UHFFFAOYSA-N
MW434.61 g/mol
LogP5.38
Rot. Bonds7

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

N-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide (PubChem CID 71623175) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
PubChem CID71623175
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC NameN-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C26H30N2O2S/c1-22-10-16-26(17-11-22)31(29,30)28(20-23-8-4-2-5-9-23)21-24-12-14-25(15-13-24)27-18-6-3-7-19-27/h2,4-5,8-17H,3,6-7,18-21H2,1H3
InChIKeySGWQQLRAZYJWBJ-UHFFFAOYSA-N
XLogP5.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide (CID 71623175) is N-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is SGWQQLRAZYJWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-22-10-16-26(17-11-22)31(29,30)28(20-23-8-4-2-5-9-23)21-24-12-14-25(15-13-24)27-18-6-3-7-19-27/h2,4-5,8-17H,3,6-7,18-21H2,1H3.
What are the key properties of N-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
N-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 434.61 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 71623175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).