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

C30H32N2O2S — CID 71623285

IUPACN-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide
SMILESCCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H32N2O2S/c1-3-31(4-2)29-19-15-26(16-20-29)24-32(23-25-11-7-5-8-12-25)35(33,34)30-21-17-28(18-22-30)27-13-9-6-10-14-27/h5-22H,3-4,23-24H2,1-2H3
InChIKeyQTWPRAMUEQABCA-UHFFFAOYSA-N
MW484.67 g/mol
LogP6.59
Rot. Bonds10

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

N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide (PubChem CID 71623285) has the molecular formula C30H32N2O2S and a molecular weight of 484.67 g/mol. Its IUPAC name is N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide
PubChem CID71623285
Molecular FormulaC30H32N2O2S
Molecular Weight484.67 g/mol
Exact Mass484.22
IUPAC NameN-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide
SMILESCCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H32N2O2S/c1-3-31(4-2)29-19-15-26(16-20-29)24-32(23-25-11-7-5-8-12-25)35(33,34)30-21-17-28(18-22-30)27-13-9-6-10-14-27/h5-22H,3-4,23-24H2,1-2H3
InChIKeyQTWPRAMUEQABCA-UHFFFAOYSA-N
XLogP6.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.67
LogP ≤ 56.59
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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Related Compounds

N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71624052
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 71624059
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-N-[(4-methylphenyl)methyl]-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 123162649
N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
CID 20654617
N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-propan-2-ylbenzenesulfonamide
CID 71583832
N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide
CID 25072280

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide (CID 71623285) is N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide is CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide?
The InChIKey is QTWPRAMUEQABCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2S/c1-3-31(4-2)29-19-15-26(16-20-29)24-32(23-25-11-7-5-8-12-25)35(33,34)30-21-17-28(18-22-30)27-13-9-6-10-14-27/h5-22H,3-4,23-24H2,1-2H3.
What are the key properties of N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide?
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide has a molecular weight of 484.67 g/mol, XLogP of 6.59, 10 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]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 71623285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).