N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide

C20H20N2O4S2 — CID 1010519

IUPACN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2O4S2/c23-27(24,19-7-3-1-4-8-19)21-15-17-11-13-18(14-12-17)16-22-28(25,26)20-9-5-2-6-10-20/h1-14,21-22H,15-16H2
InChIKeyPVOOKXDRNPGLIJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.64
Rot. Bonds8

About N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide

N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 1010519) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide
PubChem CID1010519
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2O4S2/c23-27(24,19-7-3-1-4-8-19)21-15-17-11-13-18(14-12-17)16-22-28(25,26)20-9-5-2-6-10-20/h1-14,21-22H,15-16H2
InChIKeyPVOOKXDRNPGLIJ-UHFFFAOYSA-N
XLogP2.64
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide (CID 1010519) is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is PVOOKXDRNPGLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c23-27(24,19-7-3-1-4-8-19)21-15-17-11-13-18(14-12-17)16-22-28(25,26)20-9-5-2-6-10-20/h1-14,21-22H,15-16H2.
What are the key properties of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide?
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 416.52 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 1010519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).