N-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide

C24H28N2O2S — CID 71623345

IUPACN-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H28N2O2S/c1-3-25(4-2)23-17-15-22(16-18-23)20-26(19-21-11-7-5-8-12-21)29(27,28)24-13-9-6-10-14-24/h5-18H,3-4,19-20H2,1-2H3
InChIKeyGTNUGYDKEXIIAU-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.92
Rot. Bonds9

About N-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide

N-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide (PubChem CID 71623345) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
PubChem CID71623345
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC NameN-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H28N2O2S/c1-3-25(4-2)23-17-15-22(16-18-23)20-26(19-21-11-7-5-8-12-21)29(27,28)24-13-9-6-10-14-24/h5-18H,3-4,19-20H2,1-2H3
InChIKeyGTNUGYDKEXIIAU-UHFFFAOYSA-N
XLogP4.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.92
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-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide (CID 71623345) is N-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide is CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide?
The InChIKey is GTNUGYDKEXIIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-3-25(4-2)23-17-15-22(16-18-23)20-26(19-21-11-7-5-8-12-21)29(27,28)24-13-9-6-10-14-24/h5-18H,3-4,19-20H2,1-2H3.
What are the key properties of N-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide?
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide has a molecular weight of 408.57 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 71623345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).