3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide

C19H22N4O3S — CID 3912027

IUPAC3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide
SMILES[H]/N=C1\c2ccccc2CN1NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C19H22N4O3S/c1-3-22(4-2)27(25,26)16-10-7-9-14(12-16)19(24)21-23-13-15-8-5-6-11-17(15)18(23)20/h5-12,20H,3-4,13H2,1-2H3,(H,21,24)/b20-18+
InChIKeyHSDGJDKJJNVXBU-CZIZESTLSA-N
MW386.48 g/mol
LogP2.20
Rot. Bonds6

About 3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide

3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide (PubChem CID 3912027) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide
PubChem CID3912027
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide
SMILES[H]/N=C1\c2ccccc2CN1NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C19H22N4O3S/c1-3-22(4-2)27(25,26)16-10-7-9-14(12-16)19(24)21-23-13-15-8-5-6-11-17(15)18(23)20/h5-12,20H,3-4,13H2,1-2H3,(H,21,24)/b20-18+
InChIKeyHSDGJDKJJNVXBU-CZIZESTLSA-N
XLogP2.20
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide 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 3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide (CID 3912027) is 3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide is [H]/N=C1\c2ccccc2CN1NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide?
The InChIKey is HSDGJDKJJNVXBU-CZIZESTLSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-22(4-2)27(25,26)16-10-7-9-14(12-16)19(24)21-23-13-15-8-5-6-11-17(15)18(23)20/h5-12,20H,3-4,13H2,1-2H3,(H,21,24)/b20-18+.
What are the key properties of 3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide?
3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide has a molecular weight of 386.48 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide is sourced from PubChem (CID 3912027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).