4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde

C27H27N3O3S — CID 145471495

IUPAC4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde
SMILESNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.O=Cc1ccncc1
InChIInChI=1S/C21H22N2O2S.C6H5NO/c22-15-18-11-13-21(14-12-18)26(24,25)23(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20;8-5-6-1-3-7-4-2-6/h1-14H,15-17,22H2;1-5H
InChIKeyIKWPNXRVAUDRML-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.43
Rot. Bonds8

About 4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde

4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde (PubChem CID 145471495) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde
PubChem CID145471495
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde
SMILESNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.O=Cc1ccncc1
InChIInChI=1S/C21H22N2O2S.C6H5NO/c22-15-18-11-13-21(14-12-18)26(24,25)23(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20;8-5-6-1-3-7-4-2-6/h1-14H,15-17,22H2;1-5H
InChIKeyIKWPNXRVAUDRML-UHFFFAOYSA-N
XLogP4.43
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
3-[4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 73399082
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
4-[[benzyl(hydroxy)amino]methyl]benzaldehyde
CID 143874534
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 71623285
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71624052
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 112788088
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N,N-dibenzyl-3-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
CID 59826052
N,N-dibenzyl-6-chloropyridine-3-sulfonamide
CID 2433225

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde (CID 145471495) is 4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde is NCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.O=Cc1ccncc1.
What is the InChIKey of 4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde?
The InChIKey is IKWPNXRVAUDRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S.C6H5NO/c22-15-18-11-13-21(14-12-18)26(24,25)23(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20;8-5-6-1-3-7-4-2-6/h1-14H,15-17,22H2;1-5H.
What are the key properties of 4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde?
4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde has a molecular weight of 473.60 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dibenzylbenzenesulfonamide;pyridine-4-carbaldehyde is sourced from PubChem (CID 145471495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).