N-(benzylsulfamoyl)-4-imidazol-1-ylaniline

C16H16N4O2S — CID 56870710

IUPACN-(benzylsulfamoyl)-4-imidazol-1-ylaniline
SMILESO=S(=O)(NCc1ccccc1)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H16N4O2S/c21-23(22,18-12-14-4-2-1-3-5-14)19-15-6-8-16(9-7-15)20-11-10-17-13-20/h1-11,13,18-19H,12H2
InChIKeyPETOOUNLNYBDAV-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.32
Rot. Bonds6

About N-(benzylsulfamoyl)-4-imidazol-1-ylaniline

N-(benzylsulfamoyl)-4-imidazol-1-ylaniline (PubChem CID 56870710) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-4-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-4-imidazol-1-ylaniline
PubChem CID56870710
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(benzylsulfamoyl)-4-imidazol-1-ylaniline
SMILESO=S(=O)(NCc1ccccc1)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H16N4O2S/c21-23(22,18-12-14-4-2-1-3-5-14)19-15-6-8-16(9-7-15)20-11-10-17-13-20/h1-11,13,18-19H,12H2
InChIKeyPETOOUNLNYBDAV-UHFFFAOYSA-N
XLogP2.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(benzylsulfamoyl)-4-imidazol-1-ylaniline 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-(benzylsulfamoyl)-4-imidazol-1-ylaniline?
The IUPAC name of N-(benzylsulfamoyl)-4-imidazol-1-ylaniline (CID 56870710) is N-(benzylsulfamoyl)-4-imidazol-1-ylaniline.
What is the SMILES notation for N-(benzylsulfamoyl)-4-imidazol-1-ylaniline?
The canonical SMILES for N-(benzylsulfamoyl)-4-imidazol-1-ylaniline is O=S(=O)(NCc1ccccc1)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-(benzylsulfamoyl)-4-imidazol-1-ylaniline?
The InChIKey is PETOOUNLNYBDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-23(22,18-12-14-4-2-1-3-5-14)19-15-6-8-16(9-7-15)20-11-10-17-13-20/h1-11,13,18-19H,12H2.
What are the key properties of N-(benzylsulfamoyl)-4-imidazol-1-ylaniline?
N-(benzylsulfamoyl)-4-imidazol-1-ylaniline has a molecular weight of 328.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-4-imidazol-1-ylaniline is sourced from PubChem (CID 56870710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).